SCHEMBL24672780

SCHEMBL24672780

COC[C@](CO)(OCC12CC1[C@@H](Nc1nc(Cl)cc(N[C@@H](C)c3ccccc3F)c1C=N)[C@H](O)[C@@H]2O)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NT5E P21589 6/20 0.36
SCN1A P35498 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL24672032 0.79 NT5E (0.52) NT5E
SCHEMBL24672837 0.66 NT5E (0.59) NT5E
SCHEMBL24672508 0.66 NT5E (0.61) NT5E
SCHEMBL24672678 0.64 NT5E (0.32) NT5E
SCHEMBL24672836 0.62 NT5E (0.45) NT5E
SCHEMBL24672838 0.61 NT5E (0.47) NT5E
SCHEMBL24672024 0.58 NT5E (0.56) NT5ESCN1ASCN5ASCN8A
SCHEMBL24672679 0.57 NT5E (0.63) NT5E
SCHEMBL24672030 0.56 NT5E (0.61) NT5ESCN1ASCN5ASCN8A
SCHEMBL22843456 0.55 NT5E (0.71) 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