SCHEMBL10506595

SCHEMBL10506595

Nc1nc2c(ncn2CC(CCO)CCO)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.65
BLM P54132 2/20 0.64
PNP P00491 2/20 0.64
USP2 O75604 1/20 0.64
TSHR P16473 1/20 0.64
EDNRA P25101 1/20 0.64
HTR2A P28223 1/20 0.64
RECQL P46063 1/20 0.64
HBB P68871 1/20 0.64
HSD17B10 Q99714 1/20 0.64
HPRT1 P00492 12/20 0.64
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
VCP P55072 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61

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
SCHEMBL10507335 0.95 TK1 (0.67) TK1BLMPNPUSP2TSHR
Omaciclovir SCHEMBL712427 0.95 TK1 (0.62) TK1BLMPNPUSP2TSHR
Omaciclovir SCHEMBL417577 0.95 TK1 (0.62) TK1BLMPNPUSP2TSHR
SCHEMBL10509880 0.94 TK1 (0.69) TK1BLMPNPUSP2TSHR
Omaciclovir SCHEMBL10507800 0.94 TK1 (0.61) TK1BLMPNPUSP2TSHR
SCHEMBL16488939 0.93 TK1 (0.60) TK1BLMPNPUSP2TSHR
Omaciclovir SCHEMBL571367 0.91 HPRT1 (0.66) TK1BLMPNPUSP2TSHR
SCHEMBL16491196 0.90 BLM (0.61) TK1BLMPNPUSP2TSHR
Tiviciclovir SCHEMBL6944256 0.90 BLM (0.67) TK1BLMPNPUSP2TSHR
SCHEMBL10919053 0.89 HPRT1 (0.64) TK1BLMPNPUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165289-B1 NOVEL DERIVATIVES OF GUANINE Medivir Aktiebolag (SE) 1989-04-05 EP claimed
EP-0165289-A1 NOVEL DERIVATIVES OF GUANINE. ASTRA LAEKEMEDEL AB (SE) 1985-12-27 EP claimed
WO-1985002845-A1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1985-07-04 WO claimed
EP-0146516-A2 Derivatives of Guanine, process for their preparation and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-06-26 EP claimed
EP-0165289-B1 NOVEL DERIVATIVES OF GUANINE Medivir Aktiebolag (SE) 1989-04-05 EP disclosed
US-4798833-A VIRICIDES ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1989-01-17 US disclosed
EP-0146516-A2 Derivatives of Guanine, process for their preparation and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-06-26 EP disclosed