SCHEMBL6582884

SCHEMBL6582884

CC1(C)CC(n2c(S)nc(-c3ccc(F)cc3)c2-c2ccncc2)CC(C)(C)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.74
MAPK13 O15264 11/20 0.74
MAPK12 P53778 11/20 0.74
MAPK11 Q15759 11/20 0.74
CSNK1E P49674 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CSNK1D P48730 2/20 0.40
GCGR P47871 2/20 0.40
RIPK3 Q9Y572 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
FGFR1 P11362 1/20 0.40
FRK P42685 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL5639818 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL6584791 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL6585969 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL5095719 0.76 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5941187 0.74 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL5849770 0.74 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL5139712 0.73 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL8419934 0.72 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL6171002 0.72 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1E
SCHEMBL27337778 0.71 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KDM4E

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