SCHEMBL3874417

SCHEMBL3874417

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2CC2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.56
MAPK13 O15264 6/20 0.56
MAPK12 P53778 6/20 0.56
MAPK11 Q15759 6/20 0.56
DDR2 Q16832 2/20 0.55
PTK2B Q14289 2/20 0.52
TNF P01375 3/20 0.47
CIT O14578 1/20 0.47
MUSK O15146 1/20 0.47
MAP3K7 O43318 1/20 0.47
RIPK2 O43353 1/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
RAF1 P04049 1/20 0.47
NTRK1 P04629 1/20 0.47
HSPB1 P04792 1/20 0.47
PRKCB P05771 1/20 0.47

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
SCHEMBL3874709 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3887717 0.90 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3874639 0.90 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3877347 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3883701 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3879428 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3879350 0.87 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3874230 0.87 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3876443 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3884806 0.87 PTK2B (0.55) 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