SCHEMBL3947006

SCHEMBL3947006

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(CC3CCN(C(=O)c4cccc(N(c5ccccc5)c5nc(C)cc(C)n5)c4)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
MAPK13 O15264 8/20 0.51
MAPK12 P53778 8/20 0.51
MAPK11 Q15759 8/20 0.51
PTK2 Q05397 6/20 0.46
DDR2 Q16832 1/20 0.45
PTK2B Q14289 1/20 0.45
SRC P12931 1/20 0.45
SYK P43405 1/20 0.45
GSK3A P49840 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 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
SCHEMBL3878130 0.92 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3885218 0.86 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3874279 0.86 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3879577 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3885987 0.84 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876968 0.83 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876335 0.83 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3878668 0.83 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876261 0.82 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3879294 0.82 MAPK14 (0.62) 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 1 patent. 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 claimed