SCHEMBL24791275

SCHEMBL24791275

CCC(=O)OC[C@@H]1CCC[C@](C#N)(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 9/20 0.32
▸ TMPRSS2 O15393 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30

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
SCHEMBL24790497 0.95 PIK3CD (0.33) PIK3CDTMPRSS2CSNK2A2CSNK2A1
SCHEMBL24789794 0.86 PIK3CD (0.34) PIK3CDTMPRSS2
SCHEMBL25916628 0.86 TMPRSS2 (0.32) PIK3CDTMPRSS2
SCHEMBL29566128 0.84 TMPRSS2 (0.32) PIK3CDTMPRSS2
SCHEMBL27121333 0.84 TMPRSS2 (0.32) PIK3CDTMPRSS2
SCHEMBL25608337 0.83 MGLL (0.38) TMPRSS2
SCHEMBL26399290 0.82 PIK3CD (0.32) PIK3CD
SCHEMBL26399270 0.82 PIK3CD (0.32) PIK3CD
SCHEMBL24790990 0.82 TMPRSS2 (0.30) PIK3CDTMPRSS2
SCHEMBL26399140 0.82 PIK3CD (0.33) PIK3CDTMPRSS2

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-2022265964-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2022-12-22 — — WO disclosed
Send feedback