SCHEMBL5841902

SCHEMBL5841902

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(CCC3CCN(C(=O)c4cccc(C(C)C#N)c4)CC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.48
MAPK13 O15264 7/20 0.48
MAPK12 P53778 6/20 0.48
MAPK11 Q15759 6/20 0.48
PTK2B Q14289 1/20 0.43
PTK2 Q05397 5/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
SRC P12931 1/20 0.42
SYK P43405 1/20 0.42
GSK3A P49840 1/20 0.42
DDR2 Q16832 1/20 0.41

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
SCHEMBL5841895 1.00 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3888045 0.94 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3879254 0.94 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3877562 0.94 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3876472 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3876470 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL5841890 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3880289 0.85 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL3877763 0.85 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3878372 0.81 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2B

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