SCHEMBL2218495

SCHEMBL2218495

Cc1ccc(C(=O)NC2CC2)cc1-n1nc(S(C)(=O)=O)c(OC(N)=O)c1N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.48
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK11 Q15759 1/20 0.41
RIPK2 O43353 1/20 0.40
CNR2 P34972 2/20 0.39

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
SCHEMBL1384415 0.86 MAPK14 (0.50) MAPK14CYP3A4CYP2C9MAPK11RIPK2
SCHEMBL2212815 0.84 MAPK14 (0.48) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL1386857 0.82 MAPK14 (0.48) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL12515047 0.77 MAPK14 (0.43) MAPK14CYP3A4CYP2C9MAPK11RIPK2
SCHEMBL2216787 0.77 MAPK14 (0.48) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL11965677 0.76 MAPK14 (0.54) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL11965680 0.75 MAPK14 (0.55) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL11982541 0.75 MAPK14 (0.53) MAPK14CYP3A4CYP2C9MAPK11RIPK2
SCHEMBL2214450 0.74 MAPK14 (0.46) MAPK14CYP3A4CYP2C9MAPK11RIPK2
SCHEMBL2215104 0.74 MAPK14 (0.46) MAPK14CYP3A4CYP2C9MAPK11RIPK2

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
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed