SCHEMBL5826342

SCHEMBL5826342

COc1cccc(C(=O)CC(c2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)cc2)C2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.53
MAPK13 O15264 5/20 0.53
MAPK12 P53778 4/20 0.53
MAPK11 Q15759 4/20 0.53
PTK2 Q05397 9/20 0.51
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK9 P45984 1/20 0.47
CYP2C8 P10632 1/20 0.46
BRAF P15056 2/20 0.46
PTK2B Q14289 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
SCHEMBL5826358 0.94 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3880070 0.92 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3879942 0.89 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3877537 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3883631 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3883142 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3877098 0.88 PTK2 (0.58) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3889194 0.87 PTK2 (0.59) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3887898 0.86 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876473 0.86 MAPK14 (0.52) 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