SCHEMBL7953202

SCHEMBL7953202

CN(C)C(=O)COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.80
MAPK11 Q15759 10/20 0.71
MAPK14 Q16539 10/20 0.71
MAPK13 O15264 9/20 0.71
MAPK12 P53778 9/20 0.71
GCGR P47871 8/20 0.71
TGFBR1 P36897 2/20 0.64
CSNK1A1 P48729 4/20 0.59
CSNK1D P48730 4/20 0.59
PRKD3 O94806 3/20 0.59
MAP4K4 O95819 3/20 0.59
FRK P42685 3/20 0.59
MAPK9 P45984 3/20 0.59
GSK3B P49841 3/20 0.59
PTK6 Q13882 3/20 0.59
CLK4 Q9HAZ1 2/20 0.59
PRKD2 Q9BZL6 2/20 0.59
RAF1 P04049 3/20 0.58
ALDH1A1 P00352 3/20 0.56
CSNK1E P49674 3/20 0.56

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
SCHEMBL4569577 0.89 ALOX5 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL2649978 0.83 MAPK14 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL413667 0.79 MAPK14 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL7953198 0.78 MAPK11 (0.66) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL19868952 0.78 ALOX5 (0.80) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL19868925 0.77 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL15075603 0.77 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL7232273 0.76 ALOX5 (0.73) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL4553424 0.76 ALOX5 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL2649680 0.75 MAPK11 (0.79) ALOX5MAPK11MAPK14MAPK13MAPK12

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-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed