SCHEMBL1417049

SCHEMBL1417049

CC(N)c1ccccc1.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)O)c1N

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.59
MAPK11 Q15759 4/20 0.59
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL1384534 0.91 MAPK14 (0.63) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL1416903 0.89 MAPK14 (0.54) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL1417047 0.88 MAPK14 (0.73) MAPK14MAPK11
SCHEMBL5439845 0.86 MAPK14 (0.67) MAPK14MAPK11CYP2C9
SCHEMBL1383736 0.86 MAPK14 (0.66) MAPK14MAPK11
Pivalamide SCHEMBL1417083 0.85 MAPK14 (0.58) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL1386388 0.85 MAPK14 (0.66) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL1417085 0.84 MAPK14 (0.57) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL1416991 0.83 MAPK14 (0.60) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL1417156 0.83 MAPK14 (0.70) MAPK14MAPK11

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