SCHEMBL31526335

SCHEMBL31526335

CC(=O)SC[C@H]1O[C@@H](n2ccc3c(NC(=O)c4ccccc4)nc(F)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ NT5E P21589 4/20 0.34
▸ P2RY6 Q15077 2/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ADK P55263 1/20 0.31

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
SCHEMBL31526231 0.89 POLB (0.41) ALDH1A1NT5EP2RY6P2RY14POLB
SCHEMBL31526113 0.75 PI4KA (0.39) NT5EPRMT5WDR77ADK
SCHEMBL30394639 0.75 NT5E (0.41) NT5EADORA3ADORA2AADORA2BADORA1
SCHEMBL31526212 0.75 NT5E (0.44) NT5EPRMT5WDR77ADK
SCHEMBL31526369 0.70 PI4KA (0.46) ALDH1A1NT5E
SCHEMBL23752767 0.69 NT5E (0.42) NT5E
SCHEMBL31078260 0.69 — —
SCHEMBL22402681 0.67 PI4KA (0.62) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL21504639 0.67 PI4KA (0.52) —
SCHEMBL22601403 0.67 PI4KA (0.62) ALDH1A1ADORA3ADORA2AADORA2BADORA1

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
Send feedback