⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL123088 | 1.00 | — | — | |
| SCHEMBL23766640 | 0.86 | ADH1B (0.52) | — | |
| SCHEMBL11343452 | 0.77 | ADH1B (0.44) | — | |
| SCHEMBL1002824 | 0.77 | — | — | |
| SCHEMBL8070055 | 0.77 | — | — | |
| SCHEMBL5878376 | 0.77 | — | — | |
| SCHEMBL13517901 | 0.76 | — | — | |
| SCHEMBL27757324 | 0.75 | — | — | |
| SCHEMBL10000097 | 0.75 | — | — | |
| SCHEMBL3670984 | 0.75 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2483277-B1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2015-12-02 | — | — | EP | disclosed |
| US-9175009-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2015-11-03 | — | — | US | disclosed |
| US-20150094347-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2015-04-02 | — | — | US | disclosed |
| US-8952043-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | GENETECH, INC. (US) | 2015-02-10 | — | — | US | disclosed |
| EP-2784078-A1 | Benzoxepin pi3k inhibitor compounds and methods of use | F. Hoffmann-La Roche AG (CH) | 2014-10-01 | — | — | EP | disclosed |
| US-20140135308-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2014-05-15 | — | — | US | disclosed |
| US-8673952-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | F. HOFFMAN-LA ROCHE AG (CH) | 2014-03-18 | — | — | US | disclosed |
| US-20130012488-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BLAQUIERE NICOLE (US) | 2013-01-10 | — | — | US | disclosed |
| US-8263633-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | F. HOFFMAN-LA ROCHE AG (CH) | 2012-09-11 | — | — | US | disclosed |
| EP-2483277-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| EP-1869028-A1 | PYRIMIDINES AS IGF-I INHIBITORS | AstraZeneca AB (SE) | 2007-12-26 | — | — | EP | disclosed |
| EP-1863797-A1 | 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY | AstraZeneca AB (SE) | 2007-12-12 | — | — | EP | disclosed |
| WO-2007031745-A1 | PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY | ASTRAZENECA AB (SE) | 2007-03-22 | — | — | WO | disclosed |
| US-20070037888-A1 | anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | US | disclosed |
| WO-2006109026-A1 | 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2006-10-19 | — | — | WO | disclosed |
| WO-2006106306-A1 | PYRIMIDINES AS IGF-I INHIBITORS | ASTRAZENECA AB (SE) | 2006-10-12 | — | — | WO | disclosed |
| WO-2006106307-A1 | PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2006-10-12 | — | — | WO | disclosed |
| WO-2006100461-A1 | 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2006-09-28 | — | — | WO | disclosed |
| EP-1678169-A1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Astrazeneca AB (SE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005040159-A1 | 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2005-05-06 | — | — | WO | disclosed |