SCHEMBL30008377

SCHEMBL30008377

O=P(O)(O)COC1O[C@H](Cn2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.63

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
SCHEMBL27195234 1.00 NT5E (0.63) NT5E
SCHEMBL27195215 0.90 NT5E (0.53) NT5E
SCHEMBL22282068 0.88 NT5E (0.78) NT5E
SCHEMBL28595908 0.88 NT5E (0.77) NT5E
SCHEMBL27195089 0.86 NT5E (0.52) NT5E
SCHEMBL27206585 0.86 NT5E (0.52) NT5E
SCHEMBL24672753 0.85 NT5E (0.76) NT5E
SCHEMBL24672751 0.84 NT5E (0.46) NT5E
SCHEMBL30008197 0.84 NT5E (0.56) NT5E
SCHEMBL27195239 0.84 NT5E (0.56) 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