SCHEMBL30866955

SCHEMBL30866955

CCOP(=O)(OCC)C(OC[C@H]1O[C@@H](n2ncc3c(N(C(=O)OC(C)(C)C)C4CCCC4)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 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
SCHEMBL27210195 1.00 NT5E (0.47) NT5E
SCHEMBL22975450 0.95 NT5E (0.42) NT5E
SCHEMBL29866595 0.95 NT5E (0.42) NT5E
SCHEMBL30443188 0.95 NT5E (0.42) NT5E
SCHEMBL23329030 0.95 NT5E (0.42) NT5E
SCHEMBL23007486 0.94 NT5E (0.44) NT5E
SCHEMBL29616145 0.94 NT5E (0.44) NT5E
SCHEMBL23006902 0.93 NT5E (0.45) NT5E
SCHEMBL23007290 0.93 NT5E (0.45) NT5E
SCHEMBL23006903 0.93 NT5E (0.45) 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-2024076872-A1 HETEROCYCLIC INHIBITORS OF CD73 FOR TREATMENT OF DISEASE TEON THERAPEUTICS, INC. (US) 2024-04-11 WO disclosed