SCHEMBL182584

SCHEMBL182584

CNc1cc[c]cn1

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
SCHEMBL742490 0.76 HCAR3 (0.41)
SCHEMBL2067353 0.76
SCHEMBL1542214 0.73 KEAP1 (0.36)
SCHEMBL316074 0.73 L3MBTL1 (0.52)
SCHEMBL991740 0.73 HCAR3 (0.44)
SCHEMBL182666 0.71 ESR1 (0.47)
SCHEMBL4778659 0.71 NUDT1 (0.45)
SCHEMBL1722107 0.71
SCHEMBL4776276 0.70 HCAR3 (0.46)
SCHEMBL746385 0.70 HCAR3 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO claimed
CN-110194762-B Phthalazinone derivatives, preparation method and application thereof 中国科学院上海药物研究所 2021-09-10 CN claimed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US claimed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
US-20140128373-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US claimed
EP-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP claimed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US claimed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
CN-102123991-A 2-arylaminoquinazolines for the treatment of proliferative diseases NOVARTIS AG 2011-07-13 CN claimed
WO-2011063076-A1 METHODS OF TREATING HEPATITIS C VIRUS WITH OXOACETAMIDE COMPOUNDS ITHERX PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US claimed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2009015193-A1 ANTIBACTERIAL SULFONE AND SULFOXIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US claimed