SCHEMBL13801684

SCHEMBL13801684

Nc1ncnc2c(CN3CC(O)[C@@H](CSCc4ccccc4)C3)n(C3CCCCO3)nc12

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MTAP Q13126 16/20 0.58

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
SCHEMBL4737296 1.00 MTAP (0.58) MTAP
SCHEMBL4737297 0.89 MTAP (0.47) MTAP
SCHEMBL13801686 0.89 MTAP (0.47) MTAP
SCHEMBL1573414 0.77 MTAP (0.49) MTAP
SCHEMBL4736667 0.72 PNP (0.34) MTAP
SCHEMBL12715593 0.72 PNP (0.34) MTAP
SCHEMBL24063045 0.72 MTAP (1.00) MTAP
SCHEMBL4736877 0.72 MTAP (1.00) MTAP
SCHEMBL4736878 0.72 MTAP (0.74) MTAP
SCHEMBL21067802 0.72 MTAP (1.00) MTAP

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
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 US disclosed