⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12233405 | 1.00 | — | — | |
| SCHEMBL1010140 | 1.00 | — | — | |
| SCHEMBL13780505 | 0.93 | NCF1 (0.54) | — | |
| SCHEMBL12233410 | 0.85 | — | — | |
| SCHEMBL1858281 | 0.85 | — | — | |
| SCHEMBL90397 | 0.85 | — | — | |
| SCHEMBL23967558 | 0.84 | NCF1 (0.82) | — | |
| SCHEMBL19352726 | 0.84 | NCF1 (0.82) | — | |
| Bromide SCHEMBL3755501 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL22125819 | 0.83 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024123991-A1 | TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN | POSEIDON INNOVATION 1, INC. (US) | 2024-06-13 | — | — | WO | disclosed |
| WO-2022261204-A1 | ANTICANCER COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-12-15 | — | — | WO | disclosed |
| EP-2710018-B1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) | 2021-12-29 | — | — | EP | disclosed |
| US-9808466-B2 | Macrocyclic compounds as protein kinase inhibitors | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III | 2017-11-07 | — | — | US | disclosed |
| WO-2017088755-A1 | AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2017-06-01 | — | — | WO | disclosed |
| US-20160296528-A1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) | 2016-10-13 | — | — | US | disclosed |
| US-20140256717-A1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2014-09-11 | — | — | US | disclosed |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| US-8648066-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-02-11 | — | — | US | disclosed |
| EP-2640366-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20110201608-A1 | SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-18 | — | — | US | disclosed |
| US-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2010-11-25 | — | — | US | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |