SCHEMBL24672755

SCHEMBL24672755

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

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.77

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
SCHEMBL24672753 0.87 NT5E (0.76) NT5E
SCHEMBL24618905 0.87 NT5E (1.00) NT5E
SCHEMBL22975766 0.87 NT5E (1.00) NT5E
SCHEMBL22975445 0.87 NT5E (1.00) NT5E
SCHEMBL31757504 0.87 NT5E (1.00) NT5E
SCHEMBL22975441 0.87 NT5E (1.00) NT5E
SCHEMBL22975593 0.82 NT5E (0.87) NT5E
SCHEMBL23007303 0.81 NT5E (0.87) NT5E
SCHEMBL23007139 0.81 NT5E (0.88) NT5E
SCHEMBL22975520 0.81 NT5E (0.76) 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