SCHEMBL5794358

SCHEMBL5794358

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccccn2)c1N.Cl[Mg]C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.50
MAPK11 Q15759 4/20 0.50
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
DHODH Q02127 1/20 0.42
GRM5 P41594 1/20 0.42
KIT P10721 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
SCHEMBL1417201 0.91 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12DHODH
SCHEMBL1383353 0.88 MAPK14 (0.52) MAPK14MAPK11CYP3A4CYP2C9MAPK13
SCHEMBL1383355 0.84 MAPK14 (0.48) MAPK14MAPK11CYP3A4CYP2C9MAPK13
SCHEMBL1386646 0.81 MAPK14 (0.61) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1383736 0.80 MAPK14 (0.66) MAPK14MAPK11
SCHEMBL1416913 0.80 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1384339 0.79 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1382334 0.79 MAPK14 (0.58) MAPK14MAPK11CYP3A4CYP2C9MAPK13
SCHEMBL1386373 0.79 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9MAPK13
SCHEMBL1417204 0.79 MAPK14 (0.61) MAPK14MAPK11CYP3A4CYP2C9MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP disclosed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO disclosed