SCHEMBL19959685

SCHEMBL19959685

[N-]=[N+]=Nc1nc(N)c2ncn([C@@H]3O/C(=C/OC(Cc4cccc(-c5nnn[nH]5)c4)(C(=O)O)C(=O)O)[C@@H](O)[C@@H]3F)c2n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.58

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
SCHEMBL30115091 0.84 NT5E (0.81) NT5E
SCHEMBL19948669 0.84 NT5E (0.81) NT5E
SCHEMBL19968991 0.81 NT5E (0.57) NT5E
SCHEMBL24835627 0.79 NT5E (0.62) NT5E
SCHEMBL24026316 0.76 NT5E (0.57) NT5E
SCHEMBL19968750 0.74 NT5E (0.70) NT5E
SCHEMBL19948668 0.74 NT5E (1.00) NT5E
SCHEMBL30115135 0.73 NT5E (0.80) NT5E
SCHEMBL19948409 0.73 NT5E (0.80) NT5E
SCHEMBL19968659 0.70 NT5E (0.55) 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