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Sugi Predict / Compounds / SCHEMBL30852841

SCHEMBL30852841

SCHEMBL30852841

CCOC(=O)C(COC)(OC[C@H]1O[C@@H](n2ncc3c(N(C(=O)OC(C)(C)C)C4CCCC4)cc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)P(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 20/20 0.41

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
SCHEMBL27210051 1.00 NT5E (0.41) NT5E
SCHEMBL27210428 0.95 NT5E (0.45) NT5E
SCHEMBL30866975 0.95 NT5E (0.45) NT5E
SCHEMBL27210050 0.95 NT5E (0.45) NT5E
SCHEMBL30866959 0.95 NT5E (0.45) NT5E
SCHEMBL27210222 0.95 NT5E (0.45) NT5E
SCHEMBL22975803 0.91 NT5E (0.45) NT5E
SCHEMBL30866960 0.90 NT5E (0.39) NT5E
SCHEMBL30866967 0.90 NT5E (0.39) NT5E
SCHEMBL23294997 0.87 NT5E (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024076873-A1 HETEROCYCLIC INHIBITORS OF CD73 FOR TREATMENT OF DISEASE TEON THERAPEUTICS, INC. (US) 2024-04-11 — — WO disclosed
WO-2024076872-A1 HETEROCYCLIC INHIBITORS OF CD73 FOR TREATMENT OF DISEASE TEON THERAPEUTICS, INC. (US) 2024-04-11 — — WO disclosed