SCHEMBL17267261

SCHEMBL17267261

COc1cc2c(Oc3cccc(NC(=O)N(C(=O)O)c4cc(C(C)(C)C)on4)c3)ncnc2cc1O[C@@H]1CCNC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 0.77
▸ RAF1 P04049 12/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1012417 0.92 BRAF (0.78) BRAFRAF1
Hydrochloric Acid SCHEMBL1012478 0.92 BRAF (0.78) BRAFRAF1
SCHEMBL1781226 0.87 BRAF (1.00) BRAFRAF1
SCHEMBL1013405 0.87 BRAF (1.00) BRAFRAF1
SCHEMBL1013403 0.87 BRAF (1.00) BRAFRAF1
Hydrochloric Acid SCHEMBL1067145 0.86 BRAF (0.99) BRAFRAF1
Hydrochloric Acid SCHEMBL1013092 0.86 BRAF (0.99) BRAFRAF1
Hydrochloric Acid SCHEMBL1014960 0.86 BRAF (0.99) BRAFRAF1
Hydrochloric Acid SCHEMBL1014959 0.86 BRAF (0.99) BRAFRAF1
Hydrochloric Acid SCHEMBL1013090 0.86 BRAF (0.99) BRAFRAF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 — — EP disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 — — EP disclosed
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