SCHEMBL2669073

SCHEMBL2669073

C[C@@H](CO)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(C(=O)Nc2ccn(C(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.59
CYP1A2 P05177 1/20 0.46
ABCB1 P08183 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 4/20 0.44

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
SCHEMBL1040939 0.92 GCK (0.56) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL12811382 0.88 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL2667167 0.88 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL1426924 0.80 GCK (0.60) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL12781684 0.80 GCK (0.60) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL12956884 0.79 GCK (0.65) GCKKCNH2
SCHEMBL1041338 0.78 GCK (0.61) GCKKCNH2
SCHEMBL12781955 0.78 GCK (0.64) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL1040920 0.77 GCK (0.54) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL13268619 0.75 GCK (0.45) GCKCYP1A2ABCB1CYP3A4CYP2C8

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-2008050117-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2008-05-02 WO disclosed