SCHEMBL13721985

SCHEMBL13721985

Cc1ccc(C(=O)NC2CC2)cc1Nc1ncc(C2C=CC=CC2)o1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.44
MAPK11 Q15759 6/20 0.44
BRAF P15056 2/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAP2K1 Q02750 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
SCHEMBL3316070 0.77 MAPK14 (0.52) MAPK14MAPK11BRAFMAPK13MAPK12
SCHEMBL11965675 0.68 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1417244 0.67 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12
SCHEMBL13523640 0.67 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3316305 0.67 MAPK14 (0.54) MAPK14MAPK11BRAFMAPK13MAPK12
SCHEMBL10090803 0.67 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12
SCHEMBL12676759 0.66 MAPK11 (0.65) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3321105 0.65 MAPK14 (0.52) MAPK14MAPK11BRAFMAPK13MAPK12
SCHEMBL243562 0.65 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12
SCHEMBL243758 0.65 MAPK11 (0.60) MAPK14MAPK11MAPK13MAPK12

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-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed