SCHEMBL1417031

SCHEMBL1417031

Cc1ccc(C(=O)NC2CC2)cc1-n1cc(C(=O)O)c(N)n1.NC(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.51
MAPK11 Q15759 3/20 0.42
GRM5 P41594 1/20 0.41
RIPK2 O43353 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
SCHEMBL1417033 0.87 MAPK14 (0.50) MAPK14MAPK11
SCHEMBL1417032 0.81 MAPK14 (0.51) MAPK14MAPK11
SCHEMBL1417371 0.76 MAPK14 (0.48) MAPK14MAPK11RIPK2
SCHEMBL1417073 0.75 SMYD3 (0.53) MAPK14MAPK11RIPK2
SCHEMBL1417201 0.74 MAPK14 (0.58) MAPK14MAPK11GRM5
SCHEMBL1416944 0.73 MAPK14 (0.58) MAPK14MAPK11
SCHEMBL1417713 0.73 MAPK14 (0.48) MAPK14MAPK11RIPK2
SCHEMBL1417709 0.73 MAPK14 (0.48) MAPK14RIPK2
SCHEMBL1383353 0.69 MAPK14 (0.52) MAPK14MAPK11GRM5
SCHEMBL27632955 0.69 MAPK14 (0.60) MAPK14RIPK2

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-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP claimed