SCHEMBL24606241

SCHEMBL24606241

CC(=O)OC[C@H]1O[C@@](C#N)(c2cc(F)c3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.39
▸ PIK3CD O00329 9/20 0.35
▸ ACVRL1 P37023 2/20 0.34
▸ TNK2 Q07912 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
SCHEMBL24606242 0.91 TMPRSS2 (0.38) TMPRSS2PIK3CDACVRL1
SCHEMBL23959977 0.91 TMPRSS2 (0.38) TMPRSS2PIK3CDACVRL1
SCHEMBL24606249 0.90 TMPRSS2 (0.38) TMPRSS2PIK3CDACVRL1TNK2
SCHEMBL24606239 0.90 TMPRSS2 (0.37) TMPRSS2PIK3CDACVRL1TNK2
SCHEMBL24606248 0.90 TMPRSS2 (0.37) TMPRSS2PIK3CDACVRL1TNK2
SCHEMBL24606244 0.89 TMPRSS2 (0.37) TMPRSS2PIK3CDACVRL1
SCHEMBL23959985 0.89 TMPRSS2 (0.37) TMPRSS2PIK3CDACVRL1TNK2
SCHEMBL24606253 0.88 TMPRSS2 (0.37) TMPRSS2PIK3CDACVRL1
SCHEMBL24606250 0.87 TMPRSS2 (0.37) TMPRSS2PIK3CDACVRL1TNK2
SCHEMBL24606254 0.87 TMPRSS2 (0.37) TMPRSS2PIK3CDACVRL1TNK2

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
WO-2022142477-A1 METHODS AND MODIFIED NUCLEOSIDES FOR TREATING CORONAVIRUS INFECTIONS SOUTHERN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-07 — — WO disclosed
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