SCHEMBL9566544

SCHEMBL9566544

CC(=O)c1nc2c(=O)[nH]c(N)nc2n1COCCO

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 15/20 0.71
HBB P68871 2/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
EDNRA P25101 1/20 0.55
HTR2A P28223 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPRT1 P00492 4/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2434143 0.90 PNP (0.57) PNPHBBUSP2TSHREDNRA
SCHEMBL31043036 0.82 PNP (0.78) PNPHBBUSP2TSHREDNRA
SCHEMBL11008541 0.80 PNP (0.46) PNPHBBUSP2TSHREDNRA
SCHEMBL7200361 0.78 PNP (0.46) PNPHBBUSP2TSHREDNRA
SCHEMBL8165565 0.78 PNP (0.51) PNPHBBUSP2TSHREDNRA
SCHEMBL2861664 0.76 PNP (0.52) PNPHBBUSP2TSHREDNRA
SCHEMBL8165318 0.75 PNP (0.70) PNPTSHRHSD17B10MEN1KMT2A
Acyclovir SCHEMBL8986626 0.74 PNP (0.79) PNPHBBUSP2TSHREDNRA
SCHEMBL7806050 0.74 PNP (0.47) PNPUSP2BLMMEN1KMT2A
SCHEMBL2858495 0.74 PNP (0.53) PNPHBBUSP2TSHREDNRA

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