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Systematic Identification of Scaffolds Representing Compounds Active against Individual Targets and Single or Multiple Target Families

https://doi.org/10.1021/ci300616s
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/cmdc.201000272openalex-snapshot
Structural and Potency Relationships between Scaffolds of Compounds Active against Human Targets
inferredcites →https://doi.org/10.1016/j.drudis.2009.02.010openalex-snapshot
A chemogenomic approach to drug discovery: focus on cardiovascular diseases
inferredcites →https://doi.org/10.1016/s1359-6446(03)02781-8openalex-snapshot
Medicinal chemistry of target family-directed masterkeys
inferredcites →https://doi.org/10.1021/ci049744copenalex-snapshot
Generalized Fragment-Substructure Based Property Prediction Method
inferredcites →https://doi.org/10.1021/ci050352vopenalex-snapshot
Assessing the Scaffold Diversity of Screening Libraries
inferredcites →https://doi.org/10.1021/ci060117sopenalex-snapshot
On Outliers and Activity CliffsWhy QSAR Often Disappoints
inferredcites →https://doi.org/10.1021/ci100059qopenalex-snapshot
Molecular Scaffolds with High Propensity to Form Multi-Target Activity Cliffs
inferredcites →https://doi.org/10.1021/ci1003637openalex-snapshot
Polypharmacology Directed Compound Data Mining: Identification of Promiscuous Chemotypes with Different Activity Profiles and Comparison to Approved Drugs
inferredcites →https://doi.org/10.1021/ci200179yopenalex-snapshot
Lessons Learned from Molecular Scaffold Analysis
inferredcites →https://doi.org/10.1021/ci3003304openalex-snapshot
Growth of Ligand–Target Interaction Data in ChEMBL Is Associated with Increasing and Activity Measurement-Dependent Compound Promiscuity
inferredcites →https://doi.org/10.1021/ci600338xopenalex-snapshot
The Scaffold Tree − Visualization of the Scaffold Universe by Hierarchical Scaffold Classification
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/jm00120a002openalex-snapshot
Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists
inferredcites →https://doi.org/10.1021/jm049032dopenalex-snapshot
HierS: Hierarchical Scaffold Clustering Using Topological Chemical Graphs
inferredcites →https://doi.org/10.1021/jm0502900openalex-snapshot
Are Target-Family-Privileged Substructures Truly Privileged?
inferredcites →https://doi.org/10.1021/jm9014229openalex-snapshot
Systematic Analysis of Public Domain Compound Potency Data Identifies Selective Molecular Scaffolds across Druggable Target Families
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1021/jo8001276openalex-snapshot
Structural Diversity of Organic Chemistry. A Scaffold Analysis of the CAS Registry
inferredcites →https://doi.org/10.1021/ml900024vopenalex-snapshot
Exploring Target-Selectivity Patterns of Molecular Scaffolds
inferredcites →https://doi.org/10.1038/nchembio0807-442openalex-snapshot
Scaffold composition and biological relevance of screening libraries
inferredcites →https://doi.org/10.1039/c0md00156bopenalex-snapshot
Global assessment of scaffold hopping potential for current pharmaceutical targets
inferredcites →https://doi.org/10.1093/nar/gkr777openalex-snapshot
ChEMBL: a large-scale bioactivity database for drug discovery
inferredcites →https://doi.org/10.1093/nar/gks549openalex-snapshot
Customized optimization of metabolic pathways by combinatorial transcriptional engineering
inferredcites →https://doi.org/10.1101/gr.1239303openalex-snapshot
Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks
inferredcites →https://doi.org/10.2174/092986706775197999openalex-snapshot
Privileged Structures as Leads in Medicinal Chemistry

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Access to Compound Collections
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Scaffold Diversity in Medicinal Chemistry Space
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Lead Generation Based on Compound Collection Screening
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Novel Solid‐phase and Solution‐phase Synthetic Methods for Trisubstituted Thieno[3,2‐d]pyrimidine Derivatives
inferred← citeshttps://doi.org/10.1002/minf.201300044openalex-snapshot
Visualization of Activity Landscapes and Chemogenomics Data
inferred← citeshttps://doi.org/10.1002/minf.202000163openalex-snapshot
Pharmacoinformatic Investigation of Medicinal Plants from East Africa
inferred← citeshttps://doi.org/10.1007/7653_2018_19openalex-snapshot
Computational Methods for Multi-Target Drug Designing Against Mycobacterium tuberculosis
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The polypharmacology of natural products in drug discovery and development
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Systematic Kinase Inhibitor Profiling Identifies CDK9 as a Synthetic Lethal Target in NUT Midline Carcinoma
inferred← citeshttps://doi.org/10.1016/j.ejmech.2017.10.021openalex-snapshot
Dual or multi-targeting inhibitors: The next generation anticancer agents
inferred← citeshttps://doi.org/10.1016/j.tet.2017.08.044openalex-snapshot
A novel solid-phase synthetic method for production of N -alkyl-4-alkylamino-1-aryl-1 H -pyrazolo[3,4- d ]pyrimidine-6-carboxamide library
inferred← citeshttps://doi.org/10.1016/j.tet.2021.132247openalex-snapshot
Solid-phase synthetic method for N-alkyl-4-alkylamino-6-arylthieno[3,2-d]pyrimidine-2-carboxamide derivatives
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00491openalex-snapshot
Computational Multitarget Drug Design
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.5b01746openalex-snapshot
Computational Exploration of Molecular Scaffolds in Medicinal Chemistry
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.7b00954openalex-snapshot
The Rise and Fall of a Scaffold: A Trend Analysis of Scaffolds in the Medicinal Chemistry Literature
inferred← citeshttps://doi.org/10.1021/acsomega.7b00215openalex-snapshot
Application of a New Scaffold Concept for Computational Target Deconvolution of Chemical Cancer Cell Line Screens
inferred← citeshttps://doi.org/10.1021/jm5006463openalex-snapshot
Polypharmacology: Challenges and Opportunities in Drug Discovery
inferred← citeshttps://doi.org/10.1186/1758-2946-5-33openalex-snapshot
Inferring multi-target QSAR models with taxonomy-based multi-task learning
inferred← citeshttps://doi.org/10.1186/s13321-014-0044-4openalex-snapshot
InCHlib – interactive cluster heatmap for web applications
inferred← citeshttps://doi.org/10.12688/f1000research.3713.1openalex-snapshot
Compound data sets and software tools for chemoinformatics and medicinal chemistry applications: update and data transfer
inferred← citeshttps://doi.org/10.4155/fmc-2018-0106openalex-snapshot
Improving the Utility of Molecular Scaffolds for Medicinal and Computational Chemistry
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