SCHEMBL30008031

SCHEMBL30008031

CONc1nc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.78

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
SCHEMBL27195143 1.00 NT5E (0.78) NT5E
SCHEMBL27206860 1.00 NT5E (0.78) NT5E
SCHEMBL19100837 0.91 NT5E (0.77) NT5E
SCHEMBL30008606 0.91 NT5E (0.74) NT5E
SCHEMBL27195105 0.91 NT5E (0.74) NT5E
SCHEMBL24672820 0.88 NT5E (0.82) NT5E
SCHEMBL30008024 0.88 NT5E (0.82) NT5E
SCHEMBL24672854 0.88 NT5E (0.82) NT5E
SCHEMBL19100507 0.87 NT5E (1.00) NT5E
SCHEMBL30008274 0.86 NT5E (0.80) 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