SCHEMBL22579660

SCHEMBL22579660

Nc1nc(Cl)nn2c([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]3O)cnc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 13/20 0.56
▸ PLCG1 P19174 1/20 0.47
▸ ENPP1 P22413 1/20 0.47

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
SCHEMBL24557983 0.85 NT5E (0.54) NT5E
SCHEMBL22579649 0.85 NT5E (0.54) NT5E
SCHEMBL23042945 0.84 NT5E (0.54) NT5EPLCG1ENPP1
SCHEMBL22569921 0.84 NT5E (0.65) NT5E
SCHEMBL29736943 0.84 NT5E (0.58) NT5E
SCHEMBL29736915 0.84 NT5E (0.58) NT5E
SCHEMBL22579754 0.84 NT5E (0.48) NT5E
SCHEMBL22579753 0.84 NT5E (0.46) NT5E
SCHEMBL22579587 0.84 NT5E (0.58) NT5E
SCHEMBL22579622 0.83 NT5E (0.61) 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-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
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