SCHEMBL3887022

SCHEMBL3887022

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2CC2CCN(C(=O)C3CCCCC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.57
MAPK13 O15264 8/20 0.57
MAPK12 P53778 7/20 0.57
MAPK11 Q15759 7/20 0.57
DDR2 Q16832 2/20 0.57
PTK2B Q14289 2/20 0.52
ABL1 P00519 2/20 0.49
RAF1 P04049 2/20 0.49
LYN P07948 2/20 0.49
SRC P12931 2/20 0.49
MAPK9 P45984 2/20 0.49
CIT O14578 1/20 0.49
MUSK O15146 1/20 0.49
MAP3K7 O43318 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
EGFR P00533 1/20 0.49
TNF P01375 1/20 0.49

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
SCHEMBL3877418 1.00 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3878537 0.99 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3876855 0.98 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3884089 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3879350 0.89 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3879295 0.89 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3880585 0.89 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3875501 0.89 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3887195 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3889131 0.88 MAPK14 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
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