SCHEMBL5826474

SCHEMBL5826474

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C(C(=O)c3ccc[nH]c3=O)C3CCNCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.55
MAPK13 O15264 3/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
PTK2 Q05397 13/20 0.51
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C8 P10632 1/20 0.48
BRAF P15056 2/20 0.46

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
SCHEMBL3883251 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3875397 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3880065 0.86 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3877993 0.86 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3874753 0.86 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3879156 0.86 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876958 0.85 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876050 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876980 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876713 0.85 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 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