SCHEMBL27635452

SCHEMBL27635452

CS(=O)(=O)c1ccc([C@H](CC(=O)Nc2cnc(NCCO)cn2)C2CCCC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.51
▸ GCK P35557 12/20 0.42
▸ SLC6A3 Q01959 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ PTGS2 P35354 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL27616367 0.89 KCNH2 (0.52) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27616313 0.89 KCNH2 (0.51) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27635448 0.87 KCNH2 (0.59) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27635458 0.87 KCNH2 (0.50) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27616320 0.86 KCNH2 (0.69) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27635453 0.86 KCNH2 (0.49) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27616484 0.85 KCNH2 (0.49) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL28754236 0.85 KCNH2 (0.49) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27616374 0.85 KCNH2 (0.51) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27635456 0.85 KCNH2 (0.48) KCNH2GCK

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 4 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 claimed
CN-1726197-A 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2006-01-25 — — CN claimed
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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