SCHEMBL1848586

SCHEMBL1848586

C[C@H](CO)OC[C@H](Oc1ncnc2nn(-c3ccccc3Cl)cc12)C(=O)Nc1ccc(C#N)cn1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.65
KCNH2 Q12809 14/20 0.65

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
SCHEMBL1850327 0.90 GCK (0.64) GCKKCNH2
SCHEMBL1845612 0.90 GCK (0.63) GCKKCNH2
SCHEMBL838497 0.85 GCK (0.88) GCKKCNH2
SCHEMBL1848839 0.83 GCK (0.59) GCKKCNH2
SCHEMBL1853298 0.83 GCK (0.61) GCKKCNH2
SCHEMBL1848042 0.82 GCK (0.60) GCKKCNH2
SCHEMBL1848902 0.81 GCK (0.65) GCKKCNH2
SCHEMBL838901 0.79 GCK (1.00) GCKKCNH2
SCHEMBL840012 0.79 GCK (1.00) GCKKCNH2
SCHEMBL840013 0.79 GCK (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed