SCHEMBL2665290

SCHEMBL2665290

CSc1cnc(NC(=O)/C(=C/C2CCCC2)c2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.51
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 3/20 0.36
PIK3CA P42336 1/20 0.34
PRKDC P78527 1/20 0.34
PTGS2 P35354 2/20 0.33
KCNH2 Q12809 1/20 0.33
ATR Q13535 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL9072559 0.85 GCK (0.46) GCKKCNH2
SCHEMBL2665286 0.84 GCK (0.51) GCKKMT2AAKR1C3PIK3CAPRKDC
SCHEMBL9072561 0.82 GCK (0.49) GCKKMT2AAKR1C3PIK3CAPRKDC
SCHEMBL2665310 0.82 GCK (0.49) GCKKMT2AAKR1C3PIK3CAPRKDC
SCHEMBL2665325 0.81 GCK (0.48) GCKKMT2AAKR1C3PIK3CAPRKDC
SCHEMBL2020586 0.81 GCK (0.40) GCKKCNH2
SCHEMBL2020587 0.81 GCK (0.40) GCKKCNH2
SCHEMBL2665295 0.80 GCK (0.57) GCKKMT2APIK3CAPRKDCKCNH2
SCHEMBL2023395 0.77 GCK (0.42) GCKPTGS2
SCHEMBL2023393 0.77 GCK (0.42) GCKPTGS2

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