SCHEMBL30008584

SCHEMBL30008584

CCOP(=O)(OCC)C(CO)(COC)OC[C@H]1O[C@H](Cc2ccc3c(N(C(=O)OC(C)(C)C)C4CCCC4)nc(Cl)nn23)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.33

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
SCHEMBL29613863 0.91 NT5E (0.33) NT5E
SCHEMBL29613801 0.91 NT5E (0.33) NT5E
SCHEMBL22899496 0.91 NT5E (0.33) NT5E
SCHEMBL29180654 0.90 — —
SCHEMBL29613845 0.85 — —
SCHEMBL29613877 0.85 — —
SCHEMBL27195188 0.85 NT5E (0.32) NT5E
SCHEMBL27195175 0.84 — —
SCHEMBL27195123 0.82 CYP3A4 (0.30) —
SCHEMBL22899656 0.82 NT5E (0.33) 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-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 — — WO disclosed
Send feedback