SCHEMBL4967486

SCHEMBL4967486

Nc1nc2c(ncn2Cc2cncs2)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.59
TK1 P04183 2/20 0.53
BLM P54132 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
VCP P55072 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HPRT1 P00492 4/20 0.49

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 0.81 PNP (0.66) PNPTK1BLMUSP2TSHR
SCHEMBL21629986 0.80 PNP (0.58) PNPTK1BLMUSP2TSHR
Hydrochloric Acid SCHEMBL17186373 0.80 PNP (0.65) PNPTK1BLMUSP2TSHR
SCHEMBL27309874 0.78 PNP (0.59) PNPTK1BLMUSP2TSHR
SCHEMBL9798305 0.77 PNP (0.61) PNPTK1BLMUSP2TSHR
SCHEMBL22040458 0.77 PNP (0.52) PNPHSD17B10ALDH1A1LMNA
SCHEMBL9960816 0.77 PNP (0.68) PNPTK1BLMUSP2TSHR
SCHEMBL29286376 0.77 TK1 (0.76) PNPTK1BLMUSP2TSHR
SCHEMBL9226982 0.76 PNP (0.79) PNPTK1BLMUSP2TSHR
SCHEMBL18521979 0.76 PNP (0.66) PNPTK1BLMUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4054057-B2 2008-02-27 JP claimed
CN-1948313-A Preparation method of tiemoazoleamine-8-carboxylic acid water soluble derivative, anticancer activity and application in preparing anticancer medicine TIANJIN BEIFANG SCIENCE AND TE (CN) 2007-04-18 CN 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
CN-1048493-C 06-substituted guanine derivatives, a process for their prepn. and their use CANCER RES CAMPAIGN TECH (GB) 2000-01-19 CN claimed
CN-1145622-A O 6Substituted guanine derivatives, process for their preparation and their use CANCER RES CAMPAIGN TECH (GB) 1997-03-19 CN 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
CN-1948313-A Preparation method of tiemoazoleamine-8-carboxylic acid water soluble derivative, anticancer activity and application in preparing anticancer medicine TIANJIN BEIFANG SCIENCE AND TE (CN) 2007-04-18 CN disclosed
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
CN-1048493-C 06-substituted guanine derivatives, a process for their prepn. and their use CANCER RES CAMPAIGN TECH (GB) 2000-01-19 CN disclosed
CN-1145622-A O 6Substituted guanine derivatives, process for their preparation and their use CANCER RES CAMPAIGN TECH (GB) 1997-03-19 CN 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