SCHEMBL14147199

SCHEMBL14147199

Cc1nc(Nc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)nc(N2CCC(O)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.55
▸ MAPK14 Q16539 1/20 0.55
▸ CCNC P24863 4/20 0.47
▸ CDK8 P49336 4/20 0.47
▸ KDR P35968 3/20 0.47
▸ TRPV1 Q8NER1 1/20 0.45
▸ MAPT P10636 1/20 0.44

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
SCHEMBL27844997 0.90 BRAF (0.57) BRAFMAPK14KDRTRPV1
SCHEMBL14146747 0.89 BRAF (0.62) BRAFMAPK14KDRMAPT
SCHEMBL27862197 0.88 BRAF (0.55) BRAFMAPK14KDRTRPV1
SCHEMBL27862531 0.87 BRAF (0.52) BRAFMAPK14KDRTRPV1
SCHEMBL27844947 0.86 BRAF (0.53) BRAFMAPK14KDRTRPV1MAPT
SCHEMBL27862530 0.86 BRAF (0.54) BRAFMAPK14CCNCCDK8KDR
SCHEMBL27845045 0.85 BRAF (0.51) BRAFMAPK14CCNCCDK8KDR
SCHEMBL27862284 0.85 BRAF (0.53) BRAFMAPK14TRPV1MAPT
SCHEMBL27845008 0.85 BRAF (0.51) BRAFMAPK14KDRTRPV1MAPT
SCHEMBL28796317 0.85 BRAF (0.53) BRAFMAPK14CCNCCDK8KDR

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
WO-2012159557-A1 SUBSTITUTED TRIAZINE PHENYLUREA DERIVATIVE AND USE THEREOF AGAINST TUMORS 浙江海正药业股份有限公司 (CN) 2012-11-29 — — WO disclosed
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