SCHEMBL24606244

SCHEMBL24606244

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ PRKD3 O94806 1/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ PRKCB P05771 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKCH P24723 1/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ PRKCE Q02156 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ PRKD1 Q15139 1/20 0.32
▸ ACVRL1 P37023 4/20 0.32
▸ RIPK1 Q13546 5/20 0.32
▸ PIK3CD O00329 2/20 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
SCHEMBL23959977 0.91 TMPRSS2 (0.38) TMPRSS2ACVRL1RIPK1PIK3CD
SCHEMBL24606242 0.91 TMPRSS2 (0.38) TMPRSS2ACVRL1PIK3CD
SCHEMBL24606239 0.89 TMPRSS2 (0.37) TMPRSS2ACVRL1PIK3CD
SCHEMBL24606241 0.89 TMPRSS2 (0.39) TMPRSS2ACVRL1PIK3CD
SCHEMBL23959985 0.88 TMPRSS2 (0.37) TMPRSS2ACVRL1RIPK1PIK3CD
SCHEMBL24606248 0.87 TMPRSS2 (0.37) TMPRSS2ACVRL1PIK3CD
SCHEMBL24606253 0.87 TMPRSS2 (0.37) TMPRSS2ACVRL1RIPK1PIK3CD
SCHEMBL24606249 0.86 TMPRSS2 (0.38) TMPRSS2ACVRL1RIPK1PIK3CD
SCHEMBL24606246 0.86 TMPRSS2 (0.35) TMPRSS2ACVRL1PIK3CD
SCHEMBL24313270 0.86 TMPRSS2 (0.47) TMPRSS2PRKD3PRKCGPRKCBPRKCA

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
Send feedback