SCHEMBL6582407

SCHEMBL6582407

C=CCn1c(S)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.49
MAPK13 O15264 10/20 0.49
MAPK12 P53778 10/20 0.49
MAPK11 Q15759 10/20 0.49
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK10 P53779 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
FGFR1 P11362 1/20 0.44
FRK P42685 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44

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 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL6171878 0.81 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL6583245 0.81 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL6169935 0.79 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6177031 0.79 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL5139712 0.75 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL5639664 0.75 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4912081 0.74 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6171037 0.72 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6168483 0.72 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11TDP1

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
EP-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 EP disclosed