SCHEMBL24672838

SCHEMBL24672838

COCC(CO)(OC[C@H]1O[C@H](Cc2cnc3c(N[C@@H](C)c4ccccc4F)nc(Cl)nn23)[C@H](O)[C@@H]1O)P(=O)(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
SCHEMBL24672836 0.90 NT5E (0.45) NT5E
SCHEMBL24672837 0.79 NT5E (0.59) NT5E
SCHEMBL22556633 0.74 NT5E (0.67) NT5E
SCHEMBL24672831 0.74 NT5E (0.61) NT5E
SCHEMBL22556639 0.72 NT5E (0.63) NT5E
SCHEMBL23007217 0.70 NT5E (0.71) NT5E
SCHEMBL22899487 0.68 NT5E (0.61) NT5E
SCHEMBL22899499 0.68 NT5E (0.61) NT5E
SCHEMBL29613851 0.68 NT5E (0.61) NT5E
SCHEMBL26720175 0.68 NT5E (0.70) 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