SCHEMBL9070941

SCHEMBL9070941

COC[C@@H](C)Oc1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccc(S(=O)(=O)N3CCC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.60
KCNH2 Q12809 4/20 0.60
PTGDR Q13258 1/20 0.49

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
SCHEMBL2667388 0.90 GCK (0.57) GCKKCNH2PTGDR
SCHEMBL944565 0.89 GCK (0.61) GCKKCNH2
SCHEMBL2667664 0.89 GCK (0.61) GCKKCNH2
SCHEMBL2667559 0.88 GCK (0.56) GCKKCNH2
SCHEMBL9070853 0.87 GCK (0.55) GCKKCNH2
SCHEMBL2667688 0.85 GCK (0.63) GCKKCNH2
SCHEMBL2667553 0.85 GCK (0.47) GCKKCNH2
SCHEMBL2667973 0.85 GCK (0.77) GCKKCNH2
SCHEMBL2667519 0.85 PTGDR (0.56) GCKKCNH2PTGDR
SCHEMBL2667589 0.84 GCK (0.67) 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-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed