SCHEMBL5826653

SCHEMBL5826653

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(C(C(=O)C(C)(C)c3ccccc3)C3CCNCC3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.59
MAPK13 O15264 16/20 0.59
MAPK12 P53778 15/20 0.59
MAPK11 Q15759 15/20 0.59
DDR2 Q16832 2/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PTK2 Q05397 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
SCHEMBL3876265 0.92 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11CYP2D6
SCHEMBL3877112 0.92 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3878082 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3880797 0.88 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3881401 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3876485 0.88 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3883189 0.88 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5491819 0.87 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3874191 0.87 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3880059 0.87 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2

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