SCHEMBL22281998

SCHEMBL22281998

O=P(O)(O)COC[C@@H]1CC[C@@H](Cn2ncc3c(N[C@@H]4CCc5ccccc54)nc(Cl)nc32)O1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.47

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
SCHEMBL22281976 0.90 NT5E (0.49) NT5E
SCHEMBL22281999 0.89 NT5E (0.37) NT5E
SCHEMBL28591765 0.89 NT5E (0.56) NT5E
SCHEMBL24672751 0.83 NT5E (0.46) NT5E
SCHEMBL22281991 0.82 NT5E (0.65) NT5E
SCHEMBL29754453 0.82 NT5E (0.72) NT5E
SCHEMBL22614493 0.82 NT5E (0.72) NT5E
SCHEMBL22281978 0.81 NT5E (0.55) NT5E
SCHEMBL22632256 0.80 NT5E (0.51) NT5E
SCHEMBL22282190 0.80 NT5E (0.49) 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-2020151707-A1 NOVEL SMALL MOLECULE CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-07-30 WO disclosed