SCHEMBL19959591

SCHEMBL19959591

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(CO)(Cc2cccc(C(F)(F)F)c2)C(=O)O)[C@@H](O)[C@@H]1F

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.85

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
SCHEMBL30115081 0.92 NT5E (1.00) NT5E
SCHEMBL19948686 0.92 NT5E (1.00) NT5E
SCHEMBL24026300 0.88 NT5E (0.85) NT5E
SCHEMBL24026412 0.87 NT5E (0.84) NT5E
SCHEMBL19948817 0.86 NT5E (0.84) NT5E
SCHEMBL24026264 0.86 NT5E (0.85) NT5E
SCHEMBL19959471 0.85 NT5E (0.80) NT5E
SCHEMBL19948981 0.84 NT5E (1.00) NT5E
SCHEMBL30115095 0.84 NT5E (1.00) NT5E
SCHEMBL19948709 0.84 NT5E (1.00) NT5E

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
WO-2018049145-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-03-15 WO disclosed