SCHEMBL1383355

SCHEMBL1383355

Cc1ccc(C(=O)NC2CC2)cc1-n1nc(C(=O)C2CCCC2)cc1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccccn2)c1N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.48
MAPK11 Q15759 4/20 0.48
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
DHODH Q02127 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL1383353 0.92 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12DHODH
SCHEMBL1417201 0.89 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12DHODH
SCHEMBL1386443 0.87 MAPK14 (0.46) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL1417137 0.85 MAPK14 (0.52) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL5794358 0.84 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12DHODH
SCHEMBL1416815 0.84 CYP3A4 (0.53) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL1382646 0.82 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12CYP3A4
SCHEMBL1382843 0.81 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK12CYP3A4
SCHEMBL1383736 0.78 MAPK14 (0.66) MAPK14MAPK11
SCHEMBL1416913 0.78 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9

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