SCHEMBL5833072

SCHEMBL5833072

CCNc1ccc(C(=O)C(c2ccccc2NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)C2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.51
MAPK13 O15264 5/20 0.51
MAPK12 P53778 4/20 0.51
MAPK11 Q15759 4/20 0.51
DDR2 Q16832 1/20 0.49
PTK2B Q14289 6/20 0.47
PTK2 Q05397 6/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C8 P10632 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
SCHEMBL3879435 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3887721 0.90 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3876451 0.89 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3943758 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3874719 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3879276 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3885856 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3875465 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3888665 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3875509 0.87 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11DDR2

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 1 patent. 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