SCHEMBL20333979

SCHEMBL20333979

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(Cc2nnn[nH]2)(C(=O)O)C(=O)O)C[C@@H]1F

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.74

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
SCHEMBL30115141 0.86 NT5E (0.77) NT5E
SCHEMBL19948375 0.86 NT5E (0.77) NT5E
SCHEMBL20305236 0.85 NT5E (1.00) NT5E
SCHEMBL19959549 0.85 NT5E (0.79) NT5E
SCHEMBL19959546 0.84 NT5E (0.88) NT5E
SCHEMBL20334118 0.84 NT5E (0.74) NT5E
SCHEMBL24835864 0.83 NT5E (0.84) NT5E
SCHEMBL20333901 0.83 NT5E (0.76) NT5E
SCHEMBL20334156 0.83 NT5E (0.76) NT5E
SCHEMBL19959626 0.83 NT5E (0.76) 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-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 WO disclosed