SCHEMBL9566539

SCHEMBL9566539

CC(=O)n1c(N)nc2c(ncn2COCCO)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.60
HBB P68871 2/20 0.60
TSHR P16473 2/20 0.60
BLM P54132 2/20 0.60
USP2 O75604 1/20 0.60
EDNRA P25101 1/20 0.60
HTR2A P28223 1/20 0.60
RECQL P46063 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPRT1 P00492 4/20 0.47
MAPK1 P28482 1/20 0.46
POLG P54098 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
VCP P55072 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5053218 0.88 MEN1 (0.57) PNPHBBTSHRBLMUSP2
SCHEMBL10861011 0.85 PNP (0.62) PNPHBBTSHRBLMUSP2
SCHEMBL13733434 0.80 PNP (0.59) PNPHBBTSHRBLMUSP2
Acyclovir SCHEMBL8651162 0.78 PNP (0.88) PNPHBBTSHRBLMUSP2
SCHEMBL7200355 0.76 ALDH1A1 (0.42) PNPHBBTSHRBLMUSP2
Acyclovir SCHEMBL16061503 0.76 PNP (0.95) PNPHBBTSHRBLMUSP2
Acyclovir SCHEMBL3175 0.75 PNP (1.00) PNPHBBTSHRBLMUSP2
Acyclovir SCHEMBL2269160 0.75 PNP (1.00) PNPHBBTSHRBLMUSP2
Acyclovir SCHEMBL3664893 0.75 PNP (1.00) PNPHBBTSHRBLMUSP2
Acyclovir SCHEMBL9479083 0.75 PNP (0.93) PNPHBBTSHRBLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564006-A2 Process for preparing purine derivatives and novel purine derivatives KRKA, tovarna zdravil, n.sol.o (YU) 1993-10-06 EP claimed
EP-0289992-A2 Process for preparing purine derivates KEMIJSKI INSTITUT (SI) 1988-11-09 EP claimed
EP-0564006-A2 Process for preparing purine derivatives and novel purine derivatives KRKA, tovarna zdravil, n.sol.o (YU) 1993-10-06 EP disclosed
EP-0564006-A2 Process for preparing purine derivatives and novel purine derivatives KRKA, tovarna zdravil, n.sol.o (YU) 1993-10-06 EP disclosed
EP-0289992-A2 Process for preparing purine derivates KEMIJSKI INSTITUT (SI) 1988-11-09 EP disclosed