SCHEMBL24672706

SCHEMBL24672706

OC[C@@H]1C[C@@H](O)[C@H](n2ncc3c(NOCc4ccccc4)nc(Cl)nc32)O1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 18/20 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
SCHEMBL30008194 0.84 NT5E (0.56) NT5E
SCHEMBL24672704 0.83 NT5E (0.40) NT5E
SCHEMBL30008415 0.79 NT5E (0.43) NT5E
SCHEMBL30008321 0.74 NT5E (0.45) NT5E
SCHEMBL30008274 0.74 NT5E (0.80) NT5E
SCHEMBL27195252 0.74 NT5E (0.80) NT5E
SCHEMBL30008273 0.73 LMNA (0.49) NT5E
SCHEMBL23007332 0.73 NT5E (0.64) NT5E
SCHEMBL24672300 0.72 NT5E (0.40) NT5E
SCHEMBL24672308 0.72 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
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