Sugi Predict

Sugi Predict / Compounds / SCHEMBL30973744

SCHEMBL30973744

SCHEMBL30973744

CCN(CC)C(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)Cc4ccccc4)[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]3O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ CMA1 P23946 3/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ GLS O94925 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
SCHEMBL24916988 0.92 TMPRSS2 (0.39) TMPRSS2CMA1PTPN2PTPN1CDC25A
SCHEMBL25922652 0.92 TMPRSS2 (0.39) TMPRSS2CMA1PTPN2PTPN1CDC25A
SCHEMBL27413367 0.91 TMPRSS2 (0.38) TMPRSS2PTPN2PTPN1CDC25ACDC25B
SCHEMBL30973779 0.91 TMPRSS2 (0.38) TMPRSS2PTPN2PTPN1CDC25ACDC25B
SCHEMBL24916999 0.91 TMPRSS2 (0.38) TMPRSS2PTPN2PTPN1CDC25ACDC25B
SCHEMBL30973764 0.91 TMPRSS2 (0.38) TMPRSS2PTPN2PTPN1CDC25ACDC25B
SCHEMBL30973736 0.91 TMPRSS2 (0.38) TMPRSS2PTPN2PTPN1CDC25ACDC25B
SCHEMBL27413244 0.91 TMPRSS2 (0.37) TMPRSS2CMA1PTPN2PTPN1CDC25A
SCHEMBL30973784 0.90 TMPRSS2 (0.39) TMPRSS2CMA1PTPN2PTPN1CDC25A
SCHEMBL30973730 0.90 TMPRSS2 (0.39) TMPRSS2CMA1PTPN2PTPN1CDC25A

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-2024129963-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2024-06-20 — — WO disclosed
Send feedback