SCHEMBL5832058

SCHEMBL5832058

COc1ccccc1CC(=O)C(c1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.50
MAPK12 P53778 7/20 0.50
MAPK13 O15264 4/20 0.50
MAPK11 Q15759 4/20 0.50
DDR2 Q16832 2/20 0.49
BRAF P15056 2/20 0.48
PTK2B Q14289 4/20 0.47
PTK2 Q05397 2/20 0.47
HCK P08631 4/20 0.46
TNF P01375 2/20 0.46
CIT O14578 1/20 0.46
MUSK O15146 1/20 0.46
MAP3K7 O43318 1/20 0.46
RIPK2 O43353 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 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
SCHEMBL3875307 0.95 MAPK14 (0.48) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3881526 0.93 MAPK14 (0.50) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3885725 0.93 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3880597 0.92 MAPK14 (0.53) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3874377 0.90 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3874466 0.90 MAPK14 (0.60) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3879689 0.89 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3875352 0.89 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3943155 0.89 MAPK14 (0.61) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3876225 0.89 MAPK14 (0.53) MAPK14MAPK12MAPK13MAPK11BRAF

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