SCHEMBL2665295

SCHEMBL2665295

CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)C(=O)Nc2cnc(C3(O)CCOCC3)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.57
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.32
ATR Q13535 1/20 0.32
PIK3CA P42336 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL2665299 0.88 GCK (0.44) GCKKCNH2
SCHEMBL9072572 0.87 GCK (0.43) GCKKCNH2
SCHEMBL2665290 0.80 GCK (0.51) GCKKMT2AKCNH2ATRPIK3CA
SCHEMBL2665286 0.80 GCK (0.51) GCKKMT2AKCNH2ATRPIK3CA
SCHEMBL2665310 0.78 GCK (0.49) GCKKMT2AKCNH2ATRPIK3CA
SCHEMBL9072561 0.78 GCK (0.49) GCKKMT2AKCNH2PIK3CAPRKDC
SCHEMBL2665325 0.77 GCK (0.48) GCKKMT2AKCNH2ATRPIK3CA
SCHEMBL2646024 0.73 GCK (0.83) GCKKMT2AKCNH2
SCHEMBL2646021 0.73 GCK (0.83) GCKKMT2AKCNH2
SCHEMBL2660006 0.73 GCK (1.00) GCKKMT2AKCNH2

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