SCHEMBL5826534

SCHEMBL5826534

COc1cc(OC)nc(Oc2ccccc2C(=O)N2C3CCC2CC(Cc2cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c2)C3)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.49
MAPK14 Q16539 11/20 0.47
MAPK12 P53778 6/20 0.47
MAPK13 O15264 5/20 0.47
MAPK11 Q15759 5/20 0.47
BRAF P15056 7/20 0.46
GSK3A P49840 2/20 0.42
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
SYK P43405 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL3888870 0.94 PTK2 (0.54) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3873824 0.90 PTK2 (0.51) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3884900 0.89 PTK2 (0.51) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3886454 0.89 PTK2 (0.49) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3887806 0.88 BRAF (0.50) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3883465 0.87 PTK2 (0.49) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3949577 0.86 MAPK14 (0.52) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3878635 0.85 PTK2 (0.52) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3875196 0.85 MAPK14 (0.49) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3889163 0.84 MAPK14 (0.53) PTK2MAPK14MAPK12MAPK13MAPK11

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