SCHEMBL9683440

SCHEMBL9683440

Nc1nc2c(ncn2OCCCCP(=O)(O)O)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNP P00491 13/20 0.70
HPRT1 P00492 9/20 0.70

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
SCHEMBL9684292 0.97 HPRT1 (0.69) PNPHPRT1
SCHEMBL9857583 0.87 HPRT1 (0.61) PNPHPRT1
SCHEMBL9685484 0.85 PNP (0.53) PNPHPRT1
SCHEMBL4242268 0.84 TK1 (0.62) PNPHPRT1
SCHEMBL9417159 0.84 HPRT1 (0.63) PNPHPRT1
SCHEMBL8781788 0.83 PNP (0.64) PNPHPRT1
SCHEMBL28297087 0.82 PNP (0.51) PNPHPRT1
SCHEMBL10448317 0.82 HPRT1 (0.53) PNPHPRT1
SCHEMBL9683715 0.81 PNP (0.52) PNPHPRT1
SCHEMBL9683383 0.81 HPRT1 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP claimed
US-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed
EP-0369944-A1 Substituted oxadiamino butanes CIBA-GEIGY AG (CH) 1990-05-23 EP disclosed