SCHEMBL2665327

SCHEMBL2665327

CNS(=O)(=O)c1cnc(NC(=O)/C(=C/C2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.46
KCNH2 Q12809 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.32
BRAF P15056 1/20 0.31
TNNI3K Q59H18 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2665328 0.89 GCK (0.45) GCKKCNH2ALDH1A1
SCHEMBL2665279 0.88 GCK (0.48) GCKKCNH2TYK2
SCHEMBL9072610 0.86 GCK (0.47) GCKKCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL2665262 0.85 GCK (0.48) GCKKCNH2
SCHEMBL9072612 0.85 GCK (0.46) GCKKCNH2
SCHEMBL2665329 0.85 GCK (0.46) GCKKCNH2
SCHEMBL9072559 0.85 GCK (0.46) GCKKCNH2
SCHEMBL2665292 0.84 GCK (0.46) GCKKCNH2ALDH1A1
SCHEMBL2665280 0.84 GCK (0.47) GCKKCNH2
SCHEMBL9072608 0.84 GCK (0.46) GCKKCNH2

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
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed