SCHEMBL23337017

SCHEMBL23337017

O=C(CC(OCC1CCC(n2ncc3c(NC4CCCC4)nc(Cl)nc32)O1)P(O)O)NO

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
SCHEMBL23337026 0.87 NT5E (0.55) NT5E
SCHEMBL23337935 0.82 NT5E (0.46) NT5E
SCHEMBL23337253 0.82 NT5E (0.48) NT5E
SCHEMBL27270267 0.80 NT5E (0.52) NT5E
SCHEMBL27414597 0.79 NT5E (0.54) NT5E
SCHEMBL27414436 0.79 NT5E (0.54) NT5E
SCHEMBL21348635 0.79 NT5E (0.53) NT5E
SCHEMBL27414417 0.79 NT5E (0.53) NT5E
SCHEMBL23336574 0.76 NT5E (0.54) NT5E
SCHEMBL27280186 0.73 NT5E (0.43) 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-2021087136-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. (US) 2021-05-06 WO disclosed