SCHEMBL24672753

SCHEMBL24672753

O=P(O)(O)CO[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.76

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
SCHEMBL24672755 0.87 NT5E (0.77) NT5E
SCHEMBL23915018 0.86 NT5E (1.00) NT5E
SCHEMBL20524201 0.86 NT5E (1.00) NT5E
SCHEMBL30008377 0.85 NT5E (0.63) NT5E
SCHEMBL22614451 0.85 NT5E (0.98) NT5E
SCHEMBL27195234 0.85 NT5E (0.63) NT5E
SCHEMBL21839527 0.84 NT5E (0.97) NT5E
SCHEMBL22614657 0.82 NT5E (0.93) NT5E
SCHEMBL22614572 0.82 NT5E (1.00) NT5E
SCHEMBL19100507 0.81 NT5E (1.00) 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