SCHEMBL6169935

SCHEMBL6169935

Fc1ccc(-c2nc(S)n(Cc3ccccc3)c2-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.51
MAPK10 P53779 1/20 0.50
MAPK13 O15264 10/20 0.49
MAPK12 P53778 10/20 0.49
MAPK11 Q15759 10/20 0.49
GCGR P47871 2/20 0.49
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
FGFR1 P11362 1/20 0.43
FRK P42685 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43

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
SCHEMBL6582427 0.82 MAPK14 (0.58) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL6583245 0.80 MAPK14 (0.70) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL6171878 0.80 MAPK14 (0.70) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL6582407 0.79 MAPK14 (0.49) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL6171002 0.78 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6169396 0.78 MAPK14 (0.54) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL6177031 0.78 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7139249 0.76 MAPK14 (0.66) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL5139712 0.74 MAPK14 (0.66) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL1127766 0.74 MAPK14 (0.66) MAPK14MAPK10MAPK13MAPK12MAPK11

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
EP-1506187-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-02-16 EP 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
WO-2003097633-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2003-11-27 WO 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