SCHEMBL5826431

SCHEMBL5826431

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2C(C(=O)c2ccc(OCC(F)(F)F)nc2)C2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.48
MAPK12 P53778 10/20 0.48
MAPK13 O15264 4/20 0.48
MAPK11 Q15759 4/20 0.48
DDR2 Q16832 2/20 0.45
TNF P01375 5/20 0.44
HCK P08631 5/20 0.44
PTK2B Q14289 3/20 0.44
PTK2 Q05397 2/20 0.44
CIT O14578 1/20 0.44
MUSK O15146 1/20 0.44
MAP3K7 O43318 1/20 0.44
RIPK2 O43353 1/20 0.44
STK10 O94804 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL3874647 0.91 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3878036 0.88 MAPK14 (0.50) MAPK14MAPK12MAPK13MAPK11PTK2
SCHEMBL3878361 0.88 MAPK14 (0.46) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3877259 0.87 PTK2 (0.53) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3876498 0.87 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3874422 0.86 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3874719 0.86 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3874236 0.85 MAPK14 (0.53) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3878235 0.84 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3879435 0.84 MAPK14 (0.56) MAPK14MAPK12MAPK13MAPK11DDR2

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