SCHEMBL28537005

SCHEMBL28537005

CC(=O)OC[C@H]1O[C@@H](n2ncc3c(N(C(=O)OC(C)(C)C)C4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.49

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
SCHEMBL28813460 1.00 NT5E (0.49) NT5E
SCHEMBL31669610 0.91 NT5E (0.49) NT5E
SCHEMBL29616255 0.91 NT5E (0.49) NT5E
SCHEMBL23007225 0.91 NT5E (0.49) NT5E
SCHEMBL23007222 0.90 LMNA (0.46) NT5E
SCHEMBL27210201 0.89 NT5E (0.39) NT5E
SCHEMBL27210110 0.87 NT5E (0.48) NT5E
SCHEMBL23007373 0.87 NT5E (0.65) NT5E
SCHEMBL27270276 0.85 NT5E (0.35) NT5E
SCHEMBL26428765 0.82 NT5E (0.37) 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
CN-112423764-A CD73 inhibitor 欧瑞克制药公司 2021-02-26 CN disclosed