SCHEMBL1013893

SCHEMBL1013893

COc1ccc(N(C(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)N(C(=O)Nc2cccc(C(F)(F)F)c2)c2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.70
RAF1 P04049 9/20 0.65
KDR P35968 5/20 0.65
MAPK14 Q16539 1/20 0.65
TNNI3K Q59H18 1/20 0.65
EGFR P00533 2/20 0.57
FGFR4 P22455 1/20 0.57

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
SCHEMBL1013892 0.87 BRAF (0.87) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL1779737 0.83 BRAF (1.00) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL1013152 0.79 BRAF (1.00) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL1780469 0.79 BRAF (0.84) BRAFRAF1KDR
SCHEMBL1015749 0.79 BRAF (1.00) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL28759820 0.79 BRAF (0.82) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL29723231 0.79 BRAF (0.82) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL1012844 0.78 BRAF (1.00) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL1012696 0.78 BRAF (1.00) BRAFRAF1KDRMAPK14TNNI3K
SCHEMBL28979429 0.77 BRAF (0.79) BRAFRAF1KDRMAPK14TNNI3K

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529021-A 2011-12-01 JP claimed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP claimed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO claimed