SCHEMBL4966181

SCHEMBL4966181

Nc1nc2c(ncn2Cc2cc3ccccc3s2)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 16/20 0.64
TK1 P04183 1/20 0.49
XDH P47989 1/20 0.49
HPRT1 P00492 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
EDNRA P25101 1/20 0.48
HTR2A P28223 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
HBB P68871 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL9798103 0.79 PNP (0.66) PNPTK1USP2TSHREDNRA
SCHEMBL18249 0.78 PNP (1.00) PNPTK1XDH
SCHEMBL4966798 0.78 PNP (0.76) PNPTK1XDH
Hydrochloric Acid SCHEMBL17186373 0.78 PNP (0.65) PNPTK1USP2TSHREDNRA
SCHEMBL9798305 0.78 PNP (0.61) PNPTK1HPRT1USP2TSHR
SCHEMBL1980959 0.77 PNP (0.97) PNPTK1XDH
Hydrochloric Acid SCHEMBL17186521 0.77 PNP (0.74) PNPTK1XDH
SCHEMBL9798175 0.77 PNP (0.63) PNPTK1XDHHPRT1USP2
SCHEMBL1938289 0.76 PNP (0.73) PNPTK1XDH
SCHEMBL9283422 0.76 PNP (0.68) PNPTK1XDH

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
JP-4054057-B2 2008-02-27 JP claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP claimed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP disclosed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO disclosed