SCHEMBL6583245

SCHEMBL6583245

CCCn1c(S)nc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.70
MAPK13 O15264 10/20 0.70
MAPK12 P53778 10/20 0.70
MAPK11 Q15759 10/20 0.70
GCGR P47871 2/20 0.48
ALOX5 P09917 1/20 0.46
CSNK1D P48730 2/20 0.46
MAPK10 P53779 1/20 0.46
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
FGFR1 P11362 1/20 0.45
FRK P42685 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
GSK3B P49841 1/20 0.45
CSNK1G2 P78368 1/20 0.45
PRKCD Q05655 1/20 0.45
ERBB4 Q15303 1/20 0.45
MINK1 Q8N4C8 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
SCHEMBL6171878 1.00 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6582427 0.89 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6177031 0.85 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5640796 0.84 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5637234 0.82 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5139712 0.82 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5639664 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6582407 0.81 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6169935 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL27527808 0.79 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11GCGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1291984-C 2-thio-substituted imidazole derivatives and use therof in pharmaceutical industry MERCKLE GMBH (DE) 2006-12-27 CN disclosed
EP-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 EP disclosed
CN-1511149-A 2-thio-substituted imidazole derivatives and pharmaceutical use thereof ��Ĭ���� 2004-07-07 CN disclosed