SCHEMBL5826546

SCHEMBL5826546

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(C(CC(=O)c3csc4ccccc34)C3CCNCC3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.49
MAPK13 O15264 8/20 0.49
MAPK12 P53778 7/20 0.49
MAPK11 Q15759 7/20 0.49
DDR2 Q16832 1/20 0.46
BRAF P15056 2/20 0.44
PTK2 Q05397 2/20 0.43
MAPK9 P45984 1/20 0.42

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
SCHEMBL3876999 0.93 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3887498 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3883882 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3883399 0.84 PTK2 (0.53) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3878177 0.84 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3883395 0.84 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3875816 0.83 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5832662 0.83 PTK2 (0.53) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL3881443 0.83 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3878276 0.83 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11BRAF

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