SCHEMBL1386158

SCHEMBL1386158

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cc(F)cc(F)c2)c1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc(F)c(F)c2)c1N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.51
MAPK11 Q15759 2/20 0.51
MCHR1 Q99705 1/20 0.45
MAPKAPK2 P49137 2/20 0.44
LCK P06239 2/20 0.44
KIT P10721 2/20 0.44
KDR P35968 2/20 0.44
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
PDGFRA P16234 1/20 0.44
MAPK12 P53778 1/20 0.44
KCNH2 Q12809 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
SCHEMBL1417197 0.95 MAPK14 (0.55) MAPK14MAPK11MCHR1MAPKAPK2LCK
SCHEMBL1417140 0.95 MAPK14 (0.56) MAPK14MAPK11MAPKAPK2LCKKIT
SCHEMBL12810467 0.91 MAPK14 (0.56) MAPK14MAPK11MAPKAPK2LCKKIT
SCHEMBL1386072 0.90 MAPK14 (0.55) MAPK14MAPK11MAPKAPK2LCKKIT
SCHEMBL1382545 0.88 MAPK14 (0.56) MAPK14MAPK11MAPKAPK2LCKKIT
SCHEMBL1385368 0.88 MAPK14 (0.57) MAPK14MAPK11MAPKAPK2LCKKIT
SCHEMBL1417204 0.86 MAPK14 (0.61) MAPK14MAPK11KITMAPK13MAPK12
SCHEMBL1417250 0.85 MAPK14 (0.60) MAPK14MAPK11MAPKAPK2KDRMAPK13
SCHEMBL1386544 0.84 MAPK14 (0.57) MAPK14MAPK11KDRMAPK13MAPK12
SCHEMBL1385115 0.84 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12

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