SCHEMBL2665310

SCHEMBL2665310

C/C(=N/O)c1cnc(NC(=O)/C(=C/C2CCCC2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.49
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.34
PIK3CA P42336 1/20 0.33
PRKDC P78527 1/20 0.33
EGFR P00533 1/20 0.32
BRAF P15056 1/20 0.32
AKR1C3 P42330 1/20 0.32
FAAH O00519 2/20 0.32
MGLL Q99685 2/20 0.32
KCNH2 Q12809 1/20 0.31
ATR Q13535 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
SCHEMBL2665325 0.90 GCK (0.48) GCKKMT2APTGS2PIK3CAPRKDC
SCHEMBL2665286 0.82 GCK (0.51) GCKKMT2APTGS2PIK3CAPRKDC
SCHEMBL2665290 0.82 GCK (0.51) GCKKMT2APTGS2PIK3CAPRKDC
SCHEMBL9072561 0.80 GCK (0.49) GCKKMT2APIK3CAPRKDCAKR1C3
SCHEMBL2665295 0.78 GCK (0.57) GCKKMT2APIK3CAPRKDCKCNH2
SCHEMBL2665261 0.77 GCK (0.46) GCKKCNH2
SCHEMBL9072610 0.76 GCK (0.47) GCKPIK3CAKCNH2
SCHEMBL2022861 0.74 GCK (0.48) GCKKMT2APTGS2AKR1C3KCNH2
SCHEMBL2022862 0.74 GCK (0.48) GCKKMT2APTGS2AKR1C3KCNH2
SCHEMBL2646021 0.73 GCK (0.83) 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