SCHEMBL5826427

SCHEMBL5826427

COc1cccc(CC(=O)N2C3CCC2CC(Cc2cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c2)C3)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.53
MAPK13 O15264 7/20 0.53
MAPK12 P53778 6/20 0.53
MAPK11 Q15759 6/20 0.53
BRAF P15056 8/20 0.49
PTK2 Q05397 1/20 0.46
RAF1 P04049 1/20 0.46

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
SCHEMBL3877362 0.96 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3875200 0.94 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3887914 0.94 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3888017 0.92 BRAF (0.49) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3875908 0.91 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3878489 0.91 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3875563 0.90 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3875934 0.90 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3881362 0.90 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3875182 0.89 PTK2 (0.53) MAPK14MAPK13MAPK12MAPK11PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed