SCHEMBL30008083

SCHEMBL30008083

C#C[C@]1(COP(=O)(O)CP(=O)(O)O)O[C@@H](n2ncc3c(N[C@@H](C)c4ccccc4F)cc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.70

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
SCHEMBL24672853 0.91 NT5E (0.60) NT5E
SCHEMBL27206601 0.91 NT5E (0.60) NT5E
SCHEMBL30007983 0.86 NT5E (0.56) NT5E
SCHEMBL24672299 0.86 NT5E (0.56) NT5E
SCHEMBL27206949 0.86 NT5E (0.56) NT5E
Quemliclustat SCHEMBL22843449 0.82 NT5E (1.00) NT5E
Quemliclustat SCHEMBL22843452 0.82 NT5E (1.00) NT5E
Quemliclustat SCHEMBL21348405 0.82 NT5E (1.00) NT5E
Quemliclustat SCHEMBL20822353 0.82 NT5E (1.00) NT5E
Quemliclustat SCHEMBL22843647 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4353732-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-04-17 EP disclosed
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