| BRAF hinge-binding aryl coreAbstract pharmacophorebraf-hinge-binderPage | Scaffold | Nc1ccc(Cl)cc1 | — | — | BRAF · MEK · core · Shared pharmacophore / core scaffold. Anchor for the BRAF / MEK inhibitor chemical series … |
| Cobimetinib (Cotellic)Verified drugcobimetinibPage | Drug | COC(=O)NC1=CC(=C(C=C1)F)C(=O)N2CCC[C@@H]([… | BRAF hinge-binding aryl core | 12%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · MEK · Approved therapeutic. Cobimetinib (Cotellic) in this family map. |
| Dabrafenib (Tafinlar)Verified drugdabrafenibPage | Drug | CC(C)(C)C1=NC(=C(S1)C2=NC3=CC=CC=C3N2C)C4=… | BRAF hinge-binding aryl core | 5%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · BRAF · Approved therapeutic. Dabrafenib (Tafinlar) in this family map. · CHEMBL2028663 · CID 44462760 |
| Encorafenib (Braftovi)Verified drugencorafenibPage | Drug | COC(=O)N[C@H](CNc1nccc(n1)c1cn(nc1c1cc(Cl)… | BRAF hinge-binding aryl core | 8%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · BRAF · Approved therapeutic. Encorafenib (Braftovi) in this family map. |
| Trametinib (Mekinist)Verified drugtrametinibPage | Drug | CN1C(=O)C2=C(N=C(N=C2N)N3CCN(CC3)C(=O)C=C)… | BRAF hinge-binding aryl core | 7%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · MEK · Approved therapeutic. Trametinib (Mekinist) in this family map. · CHEMBL2103872 · CID 11707110 |
| Vemurafenib (Zelboraf)Verified drugvemurafenibPage | Drug | CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3… | BRAF hinge-binding aryl core | 13%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | approved · BRAF V600E · Approved therapeutic. Vemurafenib (Zelboraf) in this family map. · CHEMBL1229517 · CID 42611257 |
| Dabrafenib + trametinib (combo)Exploratory analogdabrafenib-trametinibPage | Derivative | CC(C)(C)C1=NC(=C(S1)C2=NC3=CC=CC=C3N2C)C4=… | Dabrafenib (Tafinlar) | 5%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | combination · clinical · Clinical-stage candidate. Derived analog of parent node in BRAF / MEK inhibitor chemical s… |