SCHEMBL5826702

SCHEMBL5826702

COc1cc(OC)nc(Oc2ccccc2C(=O)C(c2ccccc2NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)C2CCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.48
MAPK14 Q16539 11/20 0.47
MAPK12 P53778 5/20 0.47
MAPK13 O15264 4/20 0.47
MAPK11 Q15759 4/20 0.47
DDR2 Q16832 2/20 0.47
BRAF P15056 2/20 0.45
SRC P12931 2/20 0.45
SYK P43405 1/20 0.45
GSK3A P49840 1/20 0.45
PTK2B Q14289 3/20 0.44
CIT O14578 1/20 0.43
MUSK O15146 1/20 0.43
MAP3K7 O43318 1/20 0.43
RIPK2 O43353 1/20 0.43
STK10 O94804 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL3886146 0.90 PTK2 (0.55) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3873840 0.89 PTK2 (0.50) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL5827678 0.89 PTK2 (0.48) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3877028 0.89 PTK2 (0.48) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3876844 0.88 MAPK14 (0.50) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3876787 0.87 MAPK14 (0.49) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3874610 0.86 MAPK14 (0.52) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3875924 0.85 PTK2 (0.49) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3886512 0.85 MAPK14 (0.49) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL3882345 0.84 MAPK14 (0.52) 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