SCHEMBL5639626

SCHEMBL5639626

CSc1ccc(-n2c(S)nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.62
MAPK13 O15264 12/20 0.62
MAPK12 P53778 12/20 0.62
MAPK11 Q15759 12/20 0.62
GCGR P47871 7/20 0.62
PRKD3 O94806 2/20 0.51
MAP4K4 O95819 2/20 0.51
FRK P42685 2/20 0.51
MAPK9 P45984 2/20 0.51
CSNK1A1 P48729 2/20 0.51
CSNK1D P48730 2/20 0.51
GSK3B P49841 2/20 0.51
CSNK1G2 P78368 2/20 0.51
ERBB4 Q15303 2/20 0.51
MINK1 Q8N4C8 2/20 0.51
PRKD2 Q9BZL6 2/20 0.51
CSNK1G3 Q9Y6M4 2/20 0.51
LCK P06239 1/20 0.51
RET P07949 1/20 0.51
ALOX5 P09917 1/20 0.51

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
SCHEMBL6169396 0.84 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6584576 0.78 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5640212 0.77 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7229394 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6774561 0.76 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4914367 0.76 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5139712 0.75 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5104334 0.73 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6168483 0.72 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6582427 0.72 MAPK14 (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 US 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
US-20040116416-A1 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2004-06-17 US disclosed
EP-1362045-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2003-11-19 EP disclosed
WO-2002066458-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2002-08-29 WO disclosed