SCHEMBL23042859

SCHEMBL23042859

CSc1nc(NCc2ccccc2F)c2ncc([C@@H]3O[C@H](COC(Cc4ccc(OCC(F)(F)F)cc4)(C(=O)O)C(=O)O)[C@@H](O)[C@H]3O)n2n1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 20/20 0.42

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
SCHEMBL23042860 0.88 NT5E (0.43) NT5E
SCHEMBL23042819 0.81 NT5E (0.47) NT5E
SCHEMBL23042960 0.73 NT5E (0.51) NT5E
SCHEMBL23042827 0.71 NT5E (0.47) NT5E
SCHEMBL23042818 0.68 NT5E (0.45) NT5E
SCHEMBL23043028 0.68 NT5E (0.42) NT5E
SCHEMBL23042958 0.68 NT5E (0.41) NT5E
SCHEMBL23052668 0.67 NT5E (0.42) NT5E
SCHEMBL23042840 0.67 NT5E (0.42) NT5E
SCHEMBL23042817 0.66 NT5E (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021040356-A1 C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION KAINOS MEDICINE, INC. (KR) 2021-03-04 — — WO claimed
WO-2021040356-A1 C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION KAINOS MEDICINE, INC. (KR) 2021-03-04 — — WO disclosed
Send feedback