SCHEMBL4967495

SCHEMBL4967495

Nc1nc2nc[nH]c2c(=O)n1Cc1cncs1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.38
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE4D Q08499 5/20 0.35
CDK2 P24941 1/20 0.35
DPP4 P27487 1/20 0.35
ADORA2A P29274 6/20 0.35
ADORA2B P29275 5/20 0.35
MGMT P16455 2/20 0.34
PDPK1 O15530 1/20 0.33
GDA Q9Y2T3 1/20 0.33

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
SCHEMBL4962859 0.81 PDE4A (0.53) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL3300188 0.81 PNP (0.40) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL4967475 0.81 MGMT (0.34) PNPMGMT
SCHEMBL5084763 0.80 MGMT (0.52) PNPPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL18605981 0.80 PDE4A (0.53) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL9434524 0.78 PNP (0.40) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL4963422 0.78 PNP (0.40) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL9226992 0.76 PNP (0.51) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL9231918 0.75 PNP (0.50) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL874737 0.74 ADORA2A (0.56) PNPPDE4APDE4BPDE4CPDE4D

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
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
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