⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3501931 | 0.97 | MAOA (0.45) | — | |
| SCHEMBL1630881 | 0.92 | — | — | |
| SCHEMBL1632473 | 0.80 | — | — | |
| SCHEMBL4521101 | 0.79 | FAAH (0.50) | — | |
| SCHEMBL298753 | 0.79 | — | — | |
| SCHEMBL1416084 | 0.77 | — | — | |
| SCHEMBL7354572 | 0.76 | CNR1 (0.43) | — | |
| SCHEMBL1289830 | 0.76 | — | — | |
| SCHEMBL11325457 | 0.76 | — | — | |
| SCHEMBL16458602 | 0.75 | FAAH (0.57) | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-7932270-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2011-04-26 | — | — | US | claimed |
| US-20090012126-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2009-01-08 | — | — | 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-20050124614-A1 | 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-09 | — | — | US | claimed |
| WO-2004004727-A1 | 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-15 | — | — | WO | claimed |
| EP-0874846-B1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2003-04-02 | — | — | EP | claimed |
| EP-0874846-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | Novartis AG (CH) | 1998-11-04 | — | — | EP | claimed |
| WO-1997016452-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1997-05-09 | — | — | WO | 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 | disclosed |
| 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 | disclosed |
| US-7932270-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2011-04-26 | — | — | US | disclosed |
| US-20100298352-A1 | SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2010-11-25 | — | — | US | disclosed |
| EP-1153024-A1 | 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS | Novartis AG (CH) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000049018-A1 | 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS | NOVARTIS AG (CH) | 2000-08-24 | — | — | WO | disclosed |
| EP-0874846-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | Novartis AG (CH) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997016452-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1997-05-09 | — | — | WO | disclosed |
| EP-0228192-A2 | Renin-inhibitory oligopeptides, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1987-07-08 | — | — | EP | disclosed |