SCHEMBL2054828

SCHEMBL2054828

O=CNc1nc(Cl)c(NC=O)c(Cl)n1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL15747660 0.83
SCHEMBL536664 0.81 CHUK (0.34)
SCHEMBL13714814 0.80
SCHEMBL6791945 0.79 MEN1 (0.33)
SCHEMBL12495984 0.79 PDE10A (0.35)
SCHEMBL8109272 0.78 L3MBTL1 (0.45)
SCHEMBL4087492 0.76 ALDH1A1 (0.35)
SCHEMBL28483907 0.76
SCHEMBL7096119 0.74 ALDH1A1 (0.42)
SCHEMBL12495475 0.74

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730298-B1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) 2015-11-11 EP disclosed
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 US disclosed
EP-1857458-A1 Process for the preparation of abacavir SOLMAG S.p.A. (IT) 2007-11-21 EP disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 US disclosed
US-6870053-B2 Chloropyrimidine intermediates SMITHKLINE BEECHAM CORPORATION (US) 2005-03-22 US disclosed
US-20030187263-A1 Chloropvrimidine intermediates SMITHKLINE BEECHAM CORPORATION 2003-10-02 US disclosed
US-6555687-B1 N,N'-(4,6-dichloro-2,5-pyrimidinediyl)bisformamide as a chemical intermediate for 9-substituted-2-aminopurines, such as famciclovir and penciclovir; viricides; HIV and hepatitus virus SMITHKLINE BEECHAM CORPORATION 2003-04-29 US disclosed
US-6552193-B1 N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1013647-B1 Process for the preparation of N-(amino-4,6-dihalogenopyrimidin)-formamides LONZA AG (CH) 2002-11-27 EP disclosed
US-20020173649-A1 Chloropvrimidine intermediates SMITHKLINE BEECHAM CORPORATION 2002-11-21 US disclosed
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US disclosed
EP-0413544-A2 Purine derivatives, process for their preparation, pharmaceutical compositions and intermediates Beecham Group p.l.c. (GB) 1991-02-20 EP disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed
EP-0399743-A1 Phosphonomethylthio-alkoseypureine derivatives, intermediate products for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP disclosed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 US disclosed
US-4910307-A Process for preparing purines BEECHAM GROUP P.L.C. (GB) 1990-03-20 US disclosed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP disclosed
EP-0319228-A2 Novel compounds BEECHAM GROUP PLC (GB) 1989-06-07 EP disclosed
EP-0294069-A2 Purine compounds, process for their preparation, intermediates and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1988-12-07 EP disclosed
EP-0242482-A2 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1987-10-28 EP disclosed