SCHEMBL5826475

SCHEMBL5826475

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2C(C(=O)c2cc(C)nc(O)c2)C2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
MAPK13 O15264 5/20 0.52
MAPK12 P53778 5/20 0.52
MAPK11 Q15759 5/20 0.52
DDR2 Q16832 1/20 0.52
PTK2B Q14289 5/20 0.48
PTK2 Q05397 3/20 0.47

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
SCHEMBL3887721 0.89 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3874422 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3875509 0.88 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3879660 0.88 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3877358 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3875465 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3884809 0.87 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3877988 0.87 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3874236 0.87 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3878676 0.87 MAPK14 (0.56) 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