SCHEMBL5830261

SCHEMBL5830261

COc1ccc(OCC(F)(F)F)c(C(=O)C(c2ccccc2NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)C2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.47
MAPK12 P53778 6/20 0.47
MAPK13 O15264 4/20 0.47
MAPK11 Q15759 4/20 0.47
HCK P08631 3/20 0.45
TNF P01375 3/20 0.45
PTK2B Q14289 2/20 0.45
SRC P12931 2/20 0.45
GSK3B P49841 2/20 0.45
DDR2 Q16832 2/20 0.45
CIT O14578 1/20 0.45
MUSK O15146 1/20 0.45
MAP3K7 O43318 1/20 0.45
RIPK2 O43353 1/20 0.45
STK10 O94804 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
RAF1 P04049 1/20 0.45

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
SCHEMBL3879661 0.89 MAPK14 (0.48) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3874610 0.88 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3873921 0.88 MAPK14 (0.48) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3882345 0.88 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3876897 0.84 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL5826431 0.84 MAPK14 (0.48) MAPK14MAPK12MAPK13MAPK11HCK
SCHEMBL3877358 0.84 MAPK14 (0.56) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL5826518 0.84 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3886519 0.83 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11HCK
SCHEMBL3886512 0.83 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11HCK

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