SCHEMBL9858340

SCHEMBL9858340

Nc1nc(N)c2ncn(OC(CO)COCP(=O)(O)O)c2n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.43
FGFR1 P11362 3/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
NT5E P21589 1/20 0.41
CYP3A4 P08684 1/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
AHCY P23526 1/20 0.37
PNP P00491 2/20 0.37

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
SCHEMBL9858021 0.86 CDK1 (0.39) HPRT1FGFR1SLC22A6NT5ECDK1
SCHEMBL9857605 0.85 FGFR1 (0.57) HPRT1FGFR1SLC22A6CYP3A4AHCY
SCHEMBL9417147 0.83 CYP3A4 (0.42) HPRT1FGFR1SLC22A6NT5ECYP3A4
SCHEMBL9858092 0.83 HPRT1 (0.66) HPRT1CYP3A4PNP
SCHEMBL9858347 0.81 FGFR1 (0.47) HPRT1FGFR1SLC22A6NT5ECYP3A4
SCHEMBL9417176 0.79 FGFR1 (0.51) HPRT1FGFR1SLC22A6NT5ECYP3A4
SCHEMBL9858167 0.77 FGFR1 (0.49) HPRT1FGFR1SLC22A6NT5ECYP3A4
SCHEMBL172847 0.76 HPRT1 (0.55) HPRT1FGFR1SLC22A6CYP3A4CDK1
SCHEMBL29450587 0.76 HPRT1 (0.55) HPRT1FGFR1SLC22A6CYP3A4CDK1
SCHEMBL15516660 0.76 HPRT1 (0.55) HPRT1FGFR1SLC22A6CYP3A4CDK1

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
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US claimed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP claimed
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US disclosed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP disclosed