SCHEMBL28523903

SCHEMBL28523903

CC(C)(C)OP(=O)(CSC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.52

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
SCHEMBL29616180 1.00 NT5E (0.52) NT5E
SCHEMBL29705826 1.00 NT5E (0.52) NT5E
SCHEMBL26720416 0.94 NT5E (0.52) NT5E
SCHEMBL23007362 0.93 NT5E (0.47) NT5E
SCHEMBL26720428 0.90 NT5E (0.54) NT5E
SCHEMBL22975424 0.89 NT5E (0.59) NT5E
SCHEMBL29754401 0.88 NT5E (0.61) NT5E
SCHEMBL22632232 0.88 NT5E (0.61) NT5E
SCHEMBL23062637 0.87 NT5E (0.41) NT5E
SCHEMBL23062636 0.84 NT5E (0.40) 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