SCHEMBL1385804

SCHEMBL1385804

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc(C(=O)NC3CC3)cc2)c1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(C(N)=O)c2)c1N

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.55
MAPK11 Q15759 6/20 0.55
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
RIPK2 O43353 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
BTK Q06187 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
SCHEMBL1417010 0.98 MAPK14 (0.57) MAPK14MAPK11FGFR1SRCFGFR2
SCHEMBL1417250 0.94 MAPK14 (0.60) MAPK14MAPK11FGFR1SRCFGFR2
SCHEMBL1382334 0.92 MAPK14 (0.58) MAPK14MAPK11FGFR1SRCFGFR2
SCHEMBL1382961 0.92 MAPK14 (0.58) MAPK14MAPK11FGFR1SRCFGFR2
SCHEMBL1416991 0.92 MAPK14 (0.60) MAPK14MAPK11FGFR1SRCFGFR2
SCHEMBL1417204 0.92 MAPK14 (0.61) MAPK14MAPK11RIPK2CYP3A4CYP2C9
SCHEMBL1386561 0.91 MAPK14 (0.57) MAPK14MAPK11FGFR1SRCFGFR2
SCHEMBL1383736 0.91 MAPK14 (0.66) MAPK14MAPK11
SCHEMBL1385986 0.90 MAPK14 (0.58) MAPK14MAPK11FGFR1SRCFGFR2
SCHEMBL1383451 0.89 MAPK14 (0.57) MAPK14MAPK11FGFR1SRCFGFR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 2011-12-14 JP claimed
JP-2007521278-A 2007-08-02 JP claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed