SCHEMBL6249453

SCHEMBL6249453

C[S+]([O-])c1ccc(-c2[nH]c(-c3cccnc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 14/20 0.56
MAPK14 Q16539 14/20 0.56
MAPK13 O15264 13/20 0.56
GCGR P47871 13/20 0.56
MAPK12 P53778 13/20 0.56
ALOX5 P09917 10/20 0.56
CSNK1A1 P48729 4/20 0.54
CSNK1D P48730 4/20 0.54
PRKD3 O94806 3/20 0.54
MAP4K4 O95819 3/20 0.54
FRK P42685 3/20 0.54
MAPK9 P45984 3/20 0.54
GSK3B P49841 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
PTK6 Q13882 2/20 0.54
PRKD2 Q9BZL6 2/20 0.54
ALDH1A1 P00352 2/20 0.50
CSNK1E P49674 2/20 0.50
CSNK1A1L Q8N752 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL9192799 0.86 MAPK11 (0.75) MAPK11MAPK14MAPK13GCGRMAPK12
Sb-203580 SCHEMBL146399 0.86 MAPK11 (0.75) MAPK11MAPK14MAPK13GCGRMAPK12
Sb-203580 SCHEMBL25800837 0.86 MAPK11 (0.75) MAPK11MAPK14MAPK13GCGRMAPK12
Sb-203580 SCHEMBL220990 0.86 MAPK11 (0.75) MAPK11MAPK14MAPK13GCGRMAPK12
Sb-203580 SCHEMBL27075368 0.86 MAPK11 (0.75) MAPK11MAPK14MAPK13GCGRMAPK12
Sb-203580 SCHEMBL95208 0.86 MAPK11 (0.75) MAPK11MAPK14MAPK13GCGRMAPK12
Sb-203580 SCHEMBL4890447 0.85 MAPK11 (0.73) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL15075635 0.84 MAPK14 (0.78) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL5698659 0.82 ALOX5 (0.75) MAPK11MAPK14MAPK13GCGRMAPK12
SCHEMBL1389121 0.81 MAPK14 (0.67) MAPK11MAPK14MAPK13GCGRMAPK12

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
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed