SCHEMBL1013892

SCHEMBL1013892

COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)c2cc1OC.COc1ccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)cc1Cl

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.87
KDR P35968 4/20 0.80
MAPK14 Q16539 1/20 0.80
TNNI3K Q59H18 1/20 0.80
RAF1 P04049 10/20 0.79
EGFR P00533 1/20 0.70
FGFR4 P22455 1/20 0.70

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
SCHEMBL1779737 0.93 BRAF (1.00) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL1780469 0.92 BRAF (0.84) BRAFKDRRAF1
SCHEMBL1012696 0.89 BRAF (1.00) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL1013152 0.89 BRAF (1.00) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL1015749 0.88 BRAF (1.00) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL1012329 0.87 BRAF (1.00) BRAFKDRRAF1EGFR
SCHEMBL1012844 0.87 BRAF (1.00) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL1013893 0.87 BRAF (0.70) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL1011531 0.86 BRAF (1.00) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL1013263 0.85 BRAF (1.00) BRAFKDRMAPK14TNNI3KRAF1

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 5 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 claimed
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
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed