SCHEMBL22899715

SCHEMBL22899715

CCOC(=O)C(OC[C@H]1O[C@@H](c2ccc3c(N(C(=O)OC(C)(C)C)C4CCCC4)nc(Cl)nn23)[C@@H]2OC(C)(C)O[C@@H]21)P(=O)(OCC)OCC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.32

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
SCHEMBL29613885 1.00 NT5E (0.32) NT5E
SCHEMBL27195188 0.90 NT5E (0.32) NT5E
SCHEMBL29613909 0.85 — —
SCHEMBL22899496 0.85 NT5E (0.33) NT5E
SCHEMBL29613863 0.85 NT5E (0.33) NT5E
SCHEMBL29613801 0.85 NT5E (0.33) NT5E
SCHEMBL22899590 0.84 — —
SCHEMBL22899719 0.84 — —
SCHEMBL22899659 0.84 TOP2A (0.31) —
SCHEMBL29613907 0.84 TOP2A (0.31) —

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-2021011689-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. (US) 2021-01-21 — — WO disclosed
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