SCHEMBL9514656

SCHEMBL9514656

CC(F)(CCCCCN1CNc2c1nc(N)[nH]c2=O)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.56
PNP P00491 10/20 0.43

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
SCHEMBL9515910 0.90 HPRT1 (0.58) HPRT1PNP
SCHEMBL9513483 0.90 HPRT1 (0.58) HPRT1PNP
SCHEMBL9516020 0.90 HPRT1 (0.58) HPRT1PNP
SCHEMBL4323268 0.89 HPRT1 (0.59) HPRT1PNP
SCHEMBL9515983 0.82 HPRT1 (0.72) HPRT1PNP
SCHEMBL10592616 0.81 HPRT1 (0.61) HPRT1PNP
SCHEMBL9513457 0.81 HPRT1 (0.49) HPRT1PNP
SCHEMBL489058 0.79 HPRT1 (0.56) HPRT1PNP
SCHEMBL976226 0.78 HPRT1 (0.67) HPRT1PNP
SCHEMBL571646 0.78 HPRT1 (0.60) HPRT1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338887-B1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMA (US) 1993-12-08 EP claimed
US-4988680-A Phosphorylase inhibitors, immuno suppressants, parasiticides, antileukemia agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-29 US claimed
EP-0338887-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP claimed
EP-0338168-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP claimed
EP-0338887-B1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMA (US) 1993-12-08 EP disclosed
US-4988680-A Phosphorylase inhibitors, immuno suppressants, parasiticides, antileukemia agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-29 US disclosed
EP-0338887-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP disclosed
EP-0338168-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP disclosed