SCHEMBL31526231

SCHEMBL31526231

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1ccc2c(NC(=O)c3ccccc3)nc(F)nc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ ADK P55263 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NT5E P21589 2/20 0.36
▸ P2RY6 Q15077 2/20 0.36
▸ P2RY14 Q15391 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL31526335 0.89 ALDH1A1 (0.34) POLBADKABL1RIN1ALDH1A1
SCHEMBL31526369 0.80 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL30827092 0.77 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL22601403 0.77 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1097616 0.77 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29444514 0.77 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL16378775 0.77 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL22402681 0.77 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL26361736 0.77 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1795484 0.77 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBALDH1A1

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-2025098545-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2025-05-15 — — WO disclosed
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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