SCHEMBL2654498

SCHEMBL2654498

CC(C)(C)ON=CCc1cnc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.65
GCK P35557 17/20 0.53

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
SCHEMBL2653939 0.90 KCNH2 (0.70) KCNH2GCK
SCHEMBL2653936 0.90 KCNH2 (0.70) KCNH2GCK
SCHEMBL2653925 0.88 GCK (0.52) KCNH2GCK
SCHEMBL2644585 0.88 KCNH2 (0.71) KCNH2GCK
SCHEMBL2644587 0.88 KCNH2 (0.71) KCNH2GCK
SCHEMBL2645248 0.86 KCNH2 (0.77) KCNH2GCK
SCHEMBL2645246 0.86 KCNH2 (0.77) KCNH2GCK
SCHEMBL14431473 0.85 KCNH2 (0.72) KCNH2GCK
SCHEMBL2644463 0.85 KCNH2 (0.74) KCNH2GCK
SCHEMBL2644464 0.85 KCNH2 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO disclosed