SCHEMBL7208451

SCHEMBL7208451

COc1nccc(-c2[nH]c(-c3ccc(SC)cc3)[n+]([O-])c2-c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.40
MAPK13 O15264 6/20 0.38
MAPK12 P53778 6/20 0.38
MAPK11 Q15759 6/20 0.38
CSNK1D P48730 5/20 0.38
GCGR P47871 4/20 0.38
PRKD3 O94806 3/20 0.38
MAP4K4 O95819 3/20 0.38
CSNK1A1 P48729 3/20 0.38
MINK1 Q8N4C8 3/20 0.38
PRKACA P17612 2/20 0.38
LCK P06239 2/20 0.38
FRK P42685 2/20 0.38
MAPK9 P45984 2/20 0.38
PRKD2 Q9BZL6 2/20 0.38
PRKCA P17252 2/20 0.38
MAP4K5 Q9Y4K4 2/20 0.38
RET P07949 1/20 0.38
ALOX5 P09917 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL7202369 0.88 MAPT (0.41) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7205342 0.83 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4586510 0.77 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7665444 0.69 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7208448 0.69 CNR2 (0.38) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4584929 0.65 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL8113515 0.64 CSNK1D (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL8131381 0.63 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6471800 0.63 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4586451 0.63 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D

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-6610695-B1 Prophylaxis or treatment of CSBP/RK/p38 kinase mediated disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed