SCHEMBL5494261

SCHEMBL5494261

Nc1nc2c(ncn2[C@]2(F)O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
PNP P00491 3/20 0.44
TK1 P04183 2/20 0.43
BLM P54132 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
EDNRA P25101 1/20 0.43
HTR2A P28223 1/20 0.43
RECQL P46063 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
VCP P55072 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3018983 0.92 ADORA3 (0.47) ADORA3PNPTK1BLMUSP2
SCHEMBL4374457 0.87 ADORA3 (0.45) ADORA3PNPTK1BLMUSP2
SCHEMBL30716928 0.86 TK1 (0.46) ADORA3PNPTK1BLMUSP2
SCHEMBL23171424 0.85 ADORA3 (0.43) ADORA3PNPTK1BLMUSP2
SCHEMBL16368459 0.85 ADORA3 (0.43) ADORA3PNPTK1BLMUSP2
SCHEMBL16644464 0.84 ADORA3 (0.43) ADORA3PNPTK1BLMUSP2
SCHEMBL3514475 0.83 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2
SCHEMBL28899787 0.82 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2
SCHEMBL28384881 0.82 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2
SCHEMBL3970963 0.82 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283874-A2 NOVEL DEOXYNUCLEOSIDE KINASE ENZYME VARIANTS Knecht, Wolfgang (DK) 2003-02-19 EP claimed
WO-2001088106-A2 NOVEL DEOXYRIBONUCLESIDE KINASE ENZYME MULTI-SUBSTRATE VARIANTS KNECHT WOLFGANG (DK) 2001-11-22 WO claimed
EP-1781788-A2 CHICKEN DEOXYCYTIDINE AND DEOXYADENOSINE KINASE ENZYMES AND THEIR USE ZGene A/S (DK) 2007-05-09 EP disclosed
WO-2006002627-A9 CHICKEN DEOXYCYTIDINE AND DEOXYADENOSINE KINASE ENZYMES AND THEIR USE ZGENE AS (DK) 2006-03-09 WO disclosed
WO-2006002627-A2 CHICKEN DEOXYCYTIDINE AND DEOXYADENOSINE KINASE ENZYMES AND THEIR USE ZGENE A/S (DK) 2006-01-12 WO disclosed
EP-1520015-A2 PLANT DEOXYRIBONUCLEOSIDE KINASE ENZYMES AND THEIR USE Knecht, Wolfgang (SE) 2005-04-06 EP disclosed
WO-2004003185-A2 PLANT DEOXYRIBONUCLEOSIDE KINASE ENZYMES AND THEIR USE KNECHT WOLFGANG (SE) 2004-01-08 WO disclosed
EP-1283874-A2 NOVEL DEOXYNUCLEOSIDE KINASE ENZYME VARIANTS Knecht, Wolfgang (DK) 2003-02-19 EP disclosed
WO-2001088106-A2 NOVEL DEOXYRIBONUCLESIDE KINASE ENZYME MULTI-SUBSTRATE VARIANTS KNECHT WOLFGANG (DK) 2001-11-22 WO disclosed