SCHEMBL5826518

SCHEMBL5826518

COc1ccc(OCC(=O)C(c2ccccc2NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)C2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
MAPK12 P53778 6/20 0.52
MAPK13 O15264 5/20 0.52
MAPK11 Q15759 5/20 0.52
PTK2B Q14289 4/20 0.51
DDR2 Q16832 1/20 0.49
PTK2 Q05397 2/20 0.48
SRC P12931 1/20 0.47
MAPK9 P45984 1/20 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
SCHEMBL3879704 0.95 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3875352 0.92 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3880572 0.91 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3879600 0.89 MAPK14 (0.50) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3879689 0.89 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3879783 0.88 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3881526 0.88 MAPK14 (0.50) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3874716 0.88 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL5826376 0.88 MAPK14 (0.53) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3874389 0.87 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11PTK2B

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