⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23720774 | 0.71 | — | — | |
| SCHEMBL28083211 | 0.67 | — | — | |
| SCHEMBL19270306 | 0.56 | — | — | |
| SCHEMBL14499440 | 0.55 | — | — | |
| SCHEMBL6824902 | 0.55 | PNMT (0.37) | — | |
| SCHEMBL821227 | 0.55 | — | — | |
| SCHEMBL6918757 | 0.54 | MEN1 (0.31) | — | |
| SCHEMBL2916410 | 0.54 | BRPF1 (0.34) | — | |
| SCHEMBL26511079 | 0.54 | — | — | |
| SCHEMBL20100276 | 0.54 | OR51E2 (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134723-B1 | 2,6 DIAMINO-9H-PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES | BOEHRINGER INGELHEIM INT (DE) | 2017-07-12 | — | — | EP | disclosed |
| US-8404674-B2 | Substituted 9H-purin-2-YL compounds, compositions thereof and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-03-26 | — | — | US | disclosed |
| US-8258129-B2 | 4-heterocycloalkylpyri(mi)dines, process for the preparation thereof and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-09-04 | — | — | US | disclosed |
| US-20100311721-A1 | COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-09 | — | — | US | disclosed |
| EP-2134723-A1 | 9H- PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES | Boehringer Ingelheim International GmbH (DE) | 2009-12-23 | — | — | EP | disclosed |
| US-20090203673-A1 | 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-13 | — | — | US | disclosed |
| EP-2041132-A2 | NEW COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008107444-A1 | 9H- PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-09-12 | — | — | WO | disclosed |
| WO-2008003766-A2 | 4-HETER0CYCL0ALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-01-10 | — | — | WO | disclosed |