SCHEMBL4730164

SCHEMBL4730164

Cc1ncc(NC(=O)c2cc(C(=O)NC3CC3)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.53
CYP2C9 P11712 6/20 0.53
MAPK11 Q15759 2/20 0.53
BUB1 O43683 1/20 0.53
PRKACG P22612 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
ACSL5 Q9ULC5 1/20 0.53
STK24 Q9Y6E0 1/20 0.53
HSPB1 P04792 1/20 0.43
EPHA3 P29320 1/20 0.43
FRK P42685 1/20 0.43
RAF1 P04049 2/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL4781066 0.90 MAPK14 (0.55) MAPK14HSPB1EPHA3FRKRAF1
SCHEMBL4729210 0.88 TRPV1 (0.42) MAPK14EPHA3FRKRAF1BRAF
SCHEMBL4729484 0.88 TRPV1 (0.41) MAPK14EPHA3FRKRAF1BRAF
SCHEMBL4729212 0.88 TRPV1 (0.41) MAPK14EPHA3FRKRAF1BRAF
SCHEMBL4729549 0.86 BTK (0.40) RAF1BRAF
SCHEMBL4729438 0.85 MEN1 (0.54) RAF1BRAF
SCHEMBL14292743 0.84 TRPV1 (0.39) MAPK14EPHA3FRKRAF1BRAF
SCHEMBL4726226 0.84 RAF1 (0.46) CYP2C9RAF1BRAF
SCHEMBL4784220 0.84 MAPK14 (0.42) MAPK14MAPK11HSPB1EPHA3FRK
SCHEMBL4726798 0.83 RAF1 (0.42) RAF1BRAF

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