SCHEMBL30008210

SCHEMBL30008210

C#C[C@]1(CO)O[C@@H](n2ncc3c(Cl)cc(Cl)nc32)[C@@H]2OC3(CCCC3)O[C@@H]21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.31

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
SCHEMBL27195196 1.00 NT5E (0.31) NT5E
SCHEMBL27195117 0.87 NT5E (0.32) NT5E
SCHEMBL30007905 0.87 NT5E (0.32) NT5E
SCHEMBL27195172 0.83 NT5E (0.32) NT5E
SCHEMBL30008393 0.83 NT5E (0.32) NT5E
SCHEMBL27195200 0.81
SCHEMBL27195219 0.81 NT5E (0.48) NT5E
SCHEMBL30008278 0.81 NT5E (0.48) NT5E
SCHEMBL27206790 0.81 NT5E (0.48) NT5E
SCHEMBL30008289 0.78 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
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