SCHEMBL9071271

SCHEMBL9071271

COCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(-c2cc3cccnc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.53
KCNH2 Q12809 2/20 0.53
RIPK1 Q13546 2/20 0.48
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47

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
SCHEMBL4186396 1.00 GCK (0.53) GCKKCNH2RIPK1CCNB2CDK1
SCHEMBL708896 0.86 GCK (0.52) GCKKCNH2
SCHEMBL708895 0.86 GCK (0.52) GCKKCNH2
SCHEMBL2087103 0.82 GCK (0.53) GCKKCNH2
SCHEMBL4181761 0.81 RIPK1 (0.52) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1528463 0.79 GCK (0.52) GCKKCNH2
SCHEMBL1528466 0.79 GCK (0.52) GCKKCNH2
SCHEMBL425758 0.79 GCK (0.63) GCKKCNH2
SCHEMBL423259 0.79 GCK (0.51) GCKKCNH2
SCHEMBL9986939 0.79 GCK (0.78) 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
WO-2007031739-A1 HETEROBICYCLIC COMPOUNDS AS GLUCOKINASE ACTIVATORS ASTRAZENECA AB (SE) 2007-03-22 WO disclosed