SCHEMBL14033804

SCHEMBL14033804

Cn1c(SCCCN)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.66
MAPK13 O15264 8/20 0.66
MAPK12 P53778 8/20 0.66
MAPK11 Q15759 8/20 0.66
GCGR P47871 2/20 0.52
CSNK1D P48730 3/20 0.50
MAPK10 P53779 1/20 0.48
ALOX5 P09917 1/20 0.47

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
SCHEMBL5097818 0.93 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5104332 0.88 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5097762 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5104620 0.86 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5097718 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5104338 0.83 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5139713 0.82 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5104603 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5104636 0.81 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5104532 0.81 MAPK14 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 US disclosed
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 US disclosed