SCHEMBL9684339

SCHEMBL9684339

Nc1nc(N)c2ncn(OCCCCP(=O)(O)O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.45
PNP P00491 7/20 0.45
NT5E P21589 1/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
FGFR1 P11362 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL9858167 0.86 FGFR1 (0.49) HPRT1PNPNT5ECDK1CCNB1
SCHEMBL9684116 0.84 FGFR1 (0.52) HPRT1PNPFGFR1SLC22A6
SCHEMBL9684374 0.84 CDK1 (0.43) HPRT1PNPNT5ECDK1CCNB1
SCHEMBL9417176 0.83 FGFR1 (0.51) HPRT1PNPNT5ECDK1CCNB1
SCHEMBL9683440 0.80 PNP (0.70) HPRT1PNP
SCHEMBL9685282 0.80 FGFR1 (0.53) HPRT1FGFR1SLC22A6
SCHEMBL9685345 0.78 CDK1 (0.40) HPRT1NT5ECDK1CCNB1CCNE1
SCHEMBL29003399 0.77 HPRT1 (0.59) HPRT1PNPCDK1CCNB1CCNE1
SCHEMBL9684292 0.76 HPRT1 (0.69) HPRT1PNP
SCHEMBL9858125 0.75 CDK1 (0.41) PNPNT5ECDK1CCNB1CCNE1

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-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