SCHEMBL9515948

SCHEMBL9515948

Nc1nc2c(ncn2CCCCCCCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNP P00491 12/20 1.00
HPRT1 P00492 9/20 1.00
TK1 P04183 1/20 0.72

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
SCHEMBL973086 0.91 PNP (1.00) PNPHPRT1TK1
SCHEMBL9701491 0.91 PNP (1.00) PNPHPRT1TK1
SCHEMBL9702665 0.91 PNP (1.00) PNPHPRT1TK1
SCHEMBL9701538 0.90 PNP (1.00) PNPHPRT1TK1
SCHEMBL6397381 0.86 PNP (0.76) PNPHPRT1TK1
SCHEMBL9702718 0.86 PNP (0.76) PNPHPRT1TK1
SCHEMBL8175624 0.85 TK1 (0.97) PNPHPRT1TK1
SCHEMBL15560864 0.85 HPRT1 (1.00) PNPHPRT1
SCHEMBL9053832 0.84 HPRT1 (0.74) PNPHPRT1
SCHEMBL15545141 0.84 HPRT1 (0.81) PNPHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338887-B1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMA (US) 1993-12-08 EP disclosed
EP-0338168-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP disclosed
EP-0338887-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP disclosed