SCHEMBL2657797

SCHEMBL2657797

COC(=O)c1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(OC2CCN(C)C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.48
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SCN9A Q15858 2/20 0.33
HPGDS O60760 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 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
SCHEMBL2074279 1.00 GCK (0.48) GCKHRH1HRH3SCN9AHPGDS
SCHEMBL2075157 0.91 GCK (0.49) GCKHRH1HRH3SCN9A
SCHEMBL2669545 0.90 GCK (0.49) GCKHRH1HRH3SCN9A
SCHEMBL2669552 0.90 GCK (0.49) GCKHRH1HRH3SCN9A
SCHEMBL2074604 0.86 GCK (0.47) GCKHRH1HRH3
SCHEMBL2074947 0.86 GCK (0.47) GCKHRH1HRH3
SCHEMBL2659316 0.85 GCK (0.56) GCK
SCHEMBL2074639 0.85 GCK (0.56) GCK
SCHEMBL2075590 0.82 GCK (0.43) GCKHRH1HRH3
SCHEMBL2074572 0.82 GRM5 (0.43) 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-2086964-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK Astra Zeneca AB (SE) 2009-08-12 EP disclosed
WO-2008050101-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK ASTRAZENECA AB (SE) 2008-05-02 WO disclosed