SCHEMBL1850319

SCHEMBL1850319

O=C(Nc1ccccn1)[C@H](COCCO)Oc1ncnc2nn(-c3c(Cl)cccc3Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.56
KCNH2 Q12809 15/20 0.56

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
SCHEMBL1850612 0.93 GCK (0.60) GCKKCNH2
SCHEMBL1848902 0.87 GCK (0.65) GCKKCNH2
SCHEMBL1846810 0.85 GCK (0.73) GCKKCNH2
SCHEMBL1848928 0.83 GCK (0.67) GCKKCNH2
SCHEMBL840226 0.82 GCK (0.80) GCKKCNH2
SCHEMBL1849160 0.82 GCK (0.75) GCKKCNH2
SCHEMBL1848042 0.81 GCK (0.60) GCKKCNH2
SCHEMBL1852373 0.78 GCK (0.73) GCKKCNH2
SCHEMBL838559 0.78 GCK (0.84) GCKKCNH2
SCHEMBL838345 0.78 GCK (0.82) 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