SCHEMBL27616350

SCHEMBL27616350

CC(C)=Cc1cnc(NC(=O)C[C@@H](c2ccc(S(C)(=O)=O)c(Cl)c2)C2CCCC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.48
▸ GCK P35557 13/20 0.41
▸ PTGS2 P35354 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL27616374 0.91 KCNH2 (0.51) KCNH2GCKPTGS2SLC6A3SLC6A2
SCHEMBL27616313 0.87 KCNH2 (0.51) KCNH2GCKPTGS2SLC6A3SLC6A2
SCHEMBL27616367 0.85 KCNH2 (0.52) KCNH2GCKPTGS2SLC6A3SLC6A2
SCHEMBL27635458 0.85 KCNH2 (0.50) KCNH2GCKPTGS2SLC6A3SLC6A2
SCHEMBL27635453 0.85 KCNH2 (0.49) KCNH2GCKPTGS2SLC6A3SLC6A2
SCHEMBL27635452 0.85 KCNH2 (0.51) KCNH2GCKPTGS2SLC6A3SLC6A2
SCHEMBL27635446 0.84 KCNH2 (0.48) KCNH2GCKPTGS2PIK3CDPIK3CA
SCHEMBL28754236 0.84 KCNH2 (0.49) KCNH2GCKPTGS2SLC6A3SLC6A2
SCHEMBL27616484 0.84 KCNH2 (0.49) KCNH2GCKPTGS2SLC6A3SLC6A2
SCHEMBL27635448 0.84 KCNH2 (0.59) KCNH2GCKPTGS2PIK3CDPIK3CA

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
CN-100469770-C 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2009-03-18 — — CN disclosed
CN-1726197-A 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2006-01-25 — — CN disclosed
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