SCHEMBL840029

SCHEMBL840029

CCOC(C)[C@H](Oc1ncnc2c1cnn2-c1ncc(Cl)cc1C(F)(F)F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.40
KCNH2 Q12809 11/20 0.40

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
SCHEMBL838212 0.86 GCK (0.45) GCKKCNH2
SCHEMBL3299297 0.84 GCK (0.53) GCKKCNH2
SCHEMBL840082 0.84 GCK (0.53) GCKKCNH2
SCHEMBL838403 0.80 GCK (0.54) GCKKCNH2
SCHEMBL838402 0.80 GCK (0.54) GCKKCNH2
SCHEMBL838664 0.79 GCK (0.59) GCKKCNH2
SCHEMBL840031 0.77 GCK (0.41) GCKKCNH2
SCHEMBL838512 0.73 GCK (0.71) GCKKCNH2
SCHEMBL839291 0.71 XDH (0.36)
SCHEMBL839516 0.71 XDH (0.38)

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
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed