SCHEMBL23042959

SCHEMBL23042959

CC(C)CNc1ncnn2c([C@@H]3O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]3O)cnc12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 19/20 0.42
▸ TTK P33981 1/20 0.41

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
SCHEMBL23042809 0.90 NT5E (0.50) NT5E
SCHEMBL23042961 0.86 NT5E (0.42) NT5E
SCHEMBL23042944 0.86 NT5E (0.54) NT5E
SCHEMBL23042793 0.83 NT5E (0.54) NT5E
SCHEMBL23042887 0.83 NT5E (0.54) NT5E
SCHEMBL23042820 0.83 NT5E (0.44) NT5E
SCHEMBL23042814 0.82 NT5E (0.53) NT5E
SCHEMBL23042796 0.82 NT5E (0.40) NT5E
SCHEMBL23042828 0.81 NT5E (0.48) NT5E
SCHEMBL23042794 0.81 NT5E (0.45) 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
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