SCHEMBL14276237

SCHEMBL14276237

COc1c(CN2CCOCC2)cc(C(F)(F)F)cc1NC(=O)c1cc2cccc(Oc3ccnc(N4CCN(C)CC4)n3)c2n1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.46
MAPK14 Q16539 9/20 0.42
SRC P12931 5/20 0.38
GSK3A P49840 8/20 0.38
SYK P43405 4/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
RAF1 P04049 1/20 0.36

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
SCHEMBL14276236 0.91 BRAF (0.44) BRAFMAPK14SRCGSK3ASYK
SCHEMBL5681259 0.89 BRAF (0.43) BRAFMAPK14SRCGSK3ASYK
SCHEMBL14276166 0.89 MAPK14 (0.42) BRAFMAPK14SRCGSK3ASYK
SCHEMBL14276248 0.89 BRAF (0.38) BRAFMAPK14GSK3A
SCHEMBL5114323 0.85 CDK1 (0.38) BRAFMAPK14SRCGSK3A
SCHEMBL5681284 0.85 GSK3A (0.46) MAPK14SRCGSK3ASYK
SCHEMBL14276242 0.85 BRAF (0.43) BRAFMAPK14SRCGSK3A
SCHEMBL14276165 0.85 MAPK14 (0.44) MAPK14SRCGSK3ASYK
SCHEMBL14276178 0.85 BRAF (0.51) BRAFMAPK14SRCGSK3ASYK
SCHEMBL14276240 0.84 BRAF (0.46) BRAFMAPK14SRCGSK3ASYK

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
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed