SCHEMBL7586877

SCHEMBL7586877

Nc1nc2nc[nH]c2c(=O)n1COCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.47
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 1/20 0.40
HTR2A P28223 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
ADORA2A P29274 4/20 0.38
ADORA2B P29275 4/20 0.38
MGMT P16455 2/20 0.37
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36

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
SCHEMBL2346363 0.89 PDE4A (0.44) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL10421281 0.88 CDK1 (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL1767750 0.84 ADORA2A (0.47) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL8397617 0.83 HPRT1 (0.47) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL28721443 0.83 CDK1 (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27842808 0.82 PDE4A (0.53) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL28071828 0.82 PNP (0.45) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL2343362 0.81 ADORA2A (0.44) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL15013384 0.81 MEN1 (0.40) PNPBLMPDE4APDE4BPDE4C
SCHEMBL3512359 0.81 PDE4A (0.37) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531452-A4 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES 1993-06-09 EP claimed
EP-0531452-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES NeXstar Pharmaceuticals, Inc. (US) 1993-03-17 EP claimed
WO-1991018914-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES VICAL, INC. (US) 1991-12-12 WO claimed
CN-108135973-A Human APOB100 epitopes, methods and uses for modulating inflammatory responses and treating adverse cardiovascular events, diseases and atherosclerosis 拉·约拉过敏反应及免疫医学研究所 2018-06-08 CN disclosed
EP-1229939-A1 USE OF HISTAMINE AS A DRUG DELIVERY ENHANCING COMPOUND FOR USE IN TRANSMUCOSAL OR TRANSDERMAL DELIVERY Maxim Pharmaceuticals, Inc. (US) 2002-08-14 EP disclosed
EP-1143969-A1 METHODS AND COMPOSITIONS FOR TOPICAL TREATMENT OF DAMAGED TISSUE USING REACTIVE OXYGEN METABOLITE PRODUCTION OR RELEASE INHIBITORS Maxim Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
US-6262254-B1 8-FLUORO-9-((2-HYDROXYETHOXY)METHYL))GUANINE / (8-FLUOROACYCLOVIR) USEFUL AS ANTICANCER AND ANTIVIRAL AGENT THE REGENTS OF UNIV. OF CALIFORNIA 2001-07-17 US disclosed
WO-2001008706-A1 USE OF HISTAMINE AS A DRUG DELIVERY ENHANCING COMPOUND FOR USE IN TRANSMUCOSAL OR TRANSDERMAL DELIVERY MAXIM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2000040240-A1 METHODS AND COMPOSITIONS FOR TOPICAL TREATMENT OF DAMAGED TISSUE USING REACTIVE OXYGEN METABOLITE PRODUCTION OR RELEASE INHIBITORS MAXIM PHARMACEUTICAL, INC. (US) 2000-07-13 WO disclosed
US-6001808-A ADMINISTERING EFFECTIVE AMOUNT OF GRAMICIDIN FOR THERAPY AND PREVENTION METATRON, INC. (US) 1999-12-14 US disclosed
US-5861503-A FLUORINATING WITH FLUORINE OR ACETYL HYPOFLUORITE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-01-19 US disclosed
EP-0272446-B1 NOVEL ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1992-11-11 EP disclosed
EP-0410660-A1 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-01-30 EP disclosed
EP-0145739-B1 NOVEL ANTIVIRAL AGENTS SRI INTERNATIONAL (US) 1989-02-08 EP disclosed
EP-0274025-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-13 EP disclosed
EP-0273169-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-06 EP disclosed
EP-0272446-A1 Novel antiviral agents SRI INTERNATIONAL (US) 1988-06-29 EP disclosed
WO-1984004748-A2 NOVEL ANTIVIRAL AGENTS 1984-12-06 WO disclosed