SCHEMBL4729575

SCHEMBL4729575

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)N(C)c3cccc(C)n3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
BRAF P15056 13/20 0.39
RAF1 P04049 9/20 0.39
TRPV1 Q8NER1 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4782257 0.86 MAPK14 (0.44) MAPK14BRAFRAF1TRPV1
SCHEMBL4729579 0.84 MAPK14 (0.40) MAPK14BRAFRAF1TRPV1
SCHEMBL4728370 0.84 MAPK14 (0.45) MAPK14BRAFRAF1TRPV1
SCHEMBL4727823 0.84 MAPK14 (0.45) MAPK14BRAFRAF1TRPV1
SCHEMBL4725947 0.84 TEK (0.43) BRAFRAF1CYP2C9
SCHEMBL4729989 0.82 MAPK14 (0.43) MAPK14BRAFRAF1TRPV1
SCHEMBL4725596 0.82 MAPK14 (0.40) MAPK14BRAFRAF1TRPV1
SCHEMBL4729144 0.81 MAPK14 (0.41) MAPK14BRAFRAF1TRPV1
SCHEMBL4725981 0.81 MAPK14 (0.42) MAPK14BRAFRAF1TRPV1
SCHEMBL4730324 0.81 MAPK14 (0.42) MAPK14BRAFRAF1TRPV1

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed