SCHEMBL29866522

SCHEMBL29866522

CCOC(=O)C(CCCC#N)(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)P(=O)(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.37

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
SCHEMBL30443769 1.00 NT5E (0.37) NT5E
SCHEMBL23295070 1.00 NT5E (0.37) NT5E
SCHEMBL23467232 0.92 NT5E (0.38) NT5E
SCHEMBL24619166 0.92 NT5E (0.41) NT5E
SCHEMBL23295031 0.91 NT5E (0.38) NT5E
SCHEMBL29866558 0.91 NT5E (0.38) NT5E
SCHEMBL22975803 0.91 NT5E (0.45) NT5E
SCHEMBL23329031 0.90 NT5E (0.38) NT5E
SCHEMBL23294952 0.90 NT5E (0.38) NT5E
SCHEMBL30443399 0.90 NT5E (0.38) 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
CN-114929721-A CD73 inhibitor 欧瑞克制药公司 2022-08-19 CN disclosed