SCHEMBL5826360

SCHEMBL5826360

CC(=O)C[C@@H](C(=O)C(c1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1)C1CCNCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.56
MAPK13 O15264 10/20 0.56
MAPK12 P53778 10/20 0.56
MAPK11 Q15759 10/20 0.56
PTK2 Q05397 8/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C8 P10632 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
SCHEMBL3876893 1.00 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL5826507 1.00 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3887713 0.94 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876650 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3879527 0.89 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3874753 0.87 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3875637 0.87 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3875450 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3885480 0.85 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876958 0.85 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11PTK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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