SCHEMBL5826445

SCHEMBL5826445

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(CC3CC4CCC(C3)N4S(=O)(=O)c3cccs3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.51
MAPK13 O15264 7/20 0.51
MAPK12 P53778 6/20 0.51
MAPK11 Q15759 6/20 0.51
PTK2 Q05397 4/20 0.46
DDR2 Q16832 1/20 0.46
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 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
SCHEMBL3879213 0.93 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3873814 0.91 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3874596 0.90 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3883738 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3880249 0.89 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876494 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876815 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3885196 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3886934 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3879214 0.87 MAPK14 (0.53) 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 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