SCHEMBL2662332

SCHEMBL2662332

Cc1c[nH]nc1NC(=O)c1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(OC(C)(C)OC(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.44
CYP1A2 P05177 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2656050 0.84 GCK (0.57) GCK
SCHEMBL2659188 0.82 GCK (0.42) GCK
SCHEMBL2662402 0.82 GCK (0.43) GCK
SCHEMBL2655275 0.72 GCK (0.43) GCK
SCHEMBL1043189 0.68 GCK (0.53) GCK
SCHEMBL1041338 0.67 GCK (0.61) GCK
SCHEMBL1042657 0.67 GCK (0.64) GCK
SCHEMBL1040939 0.66 GCK (0.56) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL2669073 0.66 GCK (0.59) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL1041008 0.64 CA12 (0.44) GCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078000-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS AstraZeneca AB (SE) 2009-07-15 EP disclosed
WO-2008050117-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2008-05-02 WO disclosed