SCHEMBL771604

SCHEMBL771604

[CH2]CN1CCCCC1=O

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
SCHEMBL2535370 0.98 L3MBTL1 (0.52)
SCHEMBL510427 0.93
SCHEMBL16611967 0.82
SCHEMBL1219977 0.82 L3MBTL1 (0.46)
SCHEMBL1935110 0.80 L3MBTL1 (0.49)
SCHEMBL3762707 0.79 L3MBTL1 (0.43)
SCHEMBL3834112 0.78 KMT2A (0.60)
SCHEMBL10976378 0.77 L3MBTL1 (0.50)
SCHEMBL9730913 0.77 L3MBTL1 (0.46)
SCHEMBL13654900 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP claimed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
EP-2298305-A1 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP claimed
CN-101648947-A 4-(n-phenylamino)-quinazolines / quinolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM PHARMA DE 2010-02-17 CN claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7456189-B2 Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-25 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US claimed
CN-1642552-A 4- (N-phenylamino) -quinazolines/quinolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-20 CN claimed
WO-2005033096-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-14 WO claimed
US-20050070560-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-31 US claimed
EP-1492536-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-05 EP claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
WO-2003082290-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-09 WO claimed
EP-0394484-B1 BENZOTHIADIAZEPINE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 1995-02-15 EP claimed
US-5036065-A Antiarrythmic agents, anesthetics, calcium antagonists TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-07-30 US claimed