SCHEMBL9366146

SCHEMBL9366146

Nc1nc2c(nc(N)n2C2CC(CO)C2O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.60
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9366153 1.00 PNP (0.60) PNPCYP3A4MAPTADORA3MEN1
SCHEMBL9366083 0.88 PNP (0.49) PNPCYP3A4MAPTADORA3
SCHEMBL9366143 0.88 PNP (0.49) PNPCYP3A4MAPTADORA3
SCHEMBL9366087 0.88 PNP (0.49) PNPCYP3A4MAPTADORA3
SCHEMBL9366148 0.88 PNP (0.49) PNPCYP3A4MAPTADORA3
SCHEMBL9367067 0.79 AHCY (0.60) PNPADORA3
SCHEMBL9020125 0.79 AHCY (0.60) PNPADORA3
SCHEMBL10516308 0.79 AHCY (0.60) PNPADORA3
SCHEMBL10516867 0.79 AHCY (0.60) PNPADORA3
SCHEMBL6977161 0.76 TLR7 (0.55)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322854-B1 Purinyl cyclobutanes SQUIBB & SONS INC (US) 1994-07-13 EP claimed
EP-0322854-B1 Purinyl cyclobutanes SQUIBB & SONS INC (US) 1994-07-13 EP disclosed