SCHEMBL31570716

SCHEMBL31570716

CC(O)=[SH]C[C@H]1O[C@@H](n2ccc3c(N)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.42
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ PRMT5 O14744 9/20 0.36
▸ WDR77 Q9BQA1 8/20 0.36
▸ P2RX1 P51575 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ ADK P55263 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ PDE2A O00408 1/20 0.33

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
SCHEMBL18571690 0.87 PI4KA (0.53) NT5EPI4KAPI4K2BPI4K2API4KB
SCHEMBL31526212 0.83 NT5E (0.44) NT5EPI4KAPI4K2BPI4K2API4KB
SCHEMBL23584458 0.77 NT5E (0.39) NT5EPRMT5WDR77RXFP1
SCHEMBL19343806 0.77 NT5E (0.39) NT5EPRMT5WDR77RXFP1
SCHEMBL21882955 0.77 PI4KA (0.47) NT5EPI4KAPI4K2BPI4K2API4KB
SCHEMBL18572205 0.77 PI4KA (0.47) NT5EPI4KAPI4K2BPI4K2API4KB
SCHEMBL18571691 0.76 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL19343817 0.76 PRMT5 (0.57) NT5EPI4KAPI4K2BPI4K2API4KB
SCHEMBL30536344 0.73 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL25352432 0.73 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBPRMT5

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-4553080-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) 2025-05-14 — — EP disclosed
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