SCHEMBL5834166

SCHEMBL5834166

COc1cc2c(cc1Oc1ccnc(N(C)C=O)c1)nc(Nc1ccc(Br)c(C)c1)n2C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.42
RAF1 P04049 11/20 0.42
EGFR P00533 2/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL2895215 0.88 BRAF (0.55) BRAFRAF1
SCHEMBL2886003 0.83 RAF1 (0.51) BRAFRAF1
SCHEMBL5833708 0.81 BRAF (0.36) BRAFRAF1EGFRERBB2
SCHEMBL3022182 0.81 RAF1 (0.61) BRAFRAF1
SCHEMBL5834168 0.80 RAF1 (0.47) BRAFRAF1
SCHEMBL2893357 0.80 BRAF (0.53) BRAFRAF1
SCHEMBL2893790 0.79 RAF1 (0.63) BRAFRAF1
SCHEMBL2893829 0.79 RAF1 (0.64) BRAFRAF1
SCHEMBL2889680 0.78 BRAF (0.54) BRAFRAF1
SCHEMBL2886046 0.78 BRAF (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 US disclosed