SCHEMBL9417241

SCHEMBL9417241

Nc1nc2c(c(=O)[nH]1)NCN2OCC(CO)OCP(=O)(O)O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 15/20 0.74
FGFR1 P11362 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
TYMP P19971 1/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
VCP P55072 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL9417148 0.87 HPRT1 (0.57) HPRT1TYMPMEN1ALDH1A1LMNA
SCHEMBL84258 0.85 HPRT1 (1.00) HPRT1FGFR1SLC22A6TYMPMEN1
SCHEMBL9055682 0.83 HPRT1 (0.81) HPRT1FGFR1SLC22A6TYMPMEN1
SCHEMBL9858182 0.82 HPRT1 (0.62) HPRT1
SCHEMBL9576807 0.81 HPRT1 (0.67) HPRT1
SCHEMBL9684438 0.81 HPRT1 (0.54) HPRT1
Ammonia Solution, Strong SCHEMBL9126239 0.80 HPRT1 (0.65) HPRT1
SCHEMBL9685371 0.80 HPRT1 (0.54) HPRT1
SCHEMBL9417162 0.80 HPRT1 (0.72) HPRT1
SCHEMBL9675861 0.80 HPRT1 (0.53) HPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319228-B1 Novel compounds BEECHAM GROUP PLC (GB) 1994-11-02 EP claimed
US-5247085-A Phosphonate containing purine compounds BEECHAM GROUP P.L.C. (GB) 1993-09-21 US claimed
EP-0405748-A1 Phosphonoderivative of purine with antiviral activity Beecham Group p.l.c. (GB) 1991-01-02 EP claimed
EP-0319228-A2 Novel compounds BEECHAM GROUP PLC (GB) 1989-06-07 EP claimed
JP-3017090-A None JP disclosed
EP-0319228-B1 Novel compounds BEECHAM GROUP PLC (GB) 1994-11-02 EP disclosed
US-5247085-A Phosphonate containing purine compounds BEECHAM GROUP P.L.C. (GB) 1993-09-21 US disclosed
JP-H0317090-A NOVEL COMPOUND, ITS PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING SUCH COMPOUND BEECHAM GROUP PLC 1991-01-25 JP disclosed
EP-0405748-A1 Phosphonoderivative of purine with antiviral activity Beecham Group p.l.c. (GB) 1991-01-02 EP disclosed
EP-0319228-A2 Novel compounds BEECHAM GROUP PLC (GB) 1989-06-07 EP disclosed