SCHEMBL23761017

SCHEMBL23761017

C#C[C@H]1C[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]1n1cnc2c(N(C)C)nc(N)nc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 10/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ STING1 Q86WV6 2/20 0.33
▸ HINT1 P49773 1/20 0.32

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
SCHEMBL24081953 0.94 NT5E (0.35) NT5E
SCHEMBL23760804 0.89 ADORA3 (0.42) NT5E
SCHEMBL24081952 0.84 CA12 (0.36) NT5ECA12CA1CA2CA9
SCHEMBL23760890 0.84 CA5A (0.42) NT5E
SCHEMBL23760891 0.84 CA5A (0.42) NT5E
SCHEMBL21136209 0.80 CA12 (0.35) NT5ECA12CA1CA2CA9
SCHEMBL23761021 0.80 NT5E (0.31) NT5E
SCHEMBL18067110 0.78 NT5E (0.40) NT5ECA12CA1CA2CA9
SCHEMBL19644803 0.78 NT5E (0.40) NT5ECA12CA1CA2CA9
SCHEMBL23760923 0.76 NT5E (0.47) 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
EP-3865136-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR CORONA VIRUS TREATMENT ATEA Pharmaceuticals, Inc. (US) 2021-08-18 — — EP disclosed
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