⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1022167 | 0.82 | — | — | |
| SCHEMBL1866199 | 0.72 | — | — | |
| SCHEMBL8355159 | 0.70 | — | — | |
| SCHEMBL5610876 | 0.68 | — | — | |
| SCHEMBL1101108 | 0.68 | — | — | |
| SCHEMBL1008163 | 0.68 | — | — | |
| SCHEMBL9617164 | 0.68 | — | — | |
| SCHEMBL2353396 | 0.68 | — | — | |
| SCHEMBL7740398 | 0.67 | — | — | |
| SCHEMBL4788559 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1828181-A2 | PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2M3-B]PYRIMIDIN-4-YL-AMINES AS JANUS KINASE INHIBITORS | Incyte Corporation (US) | 2007-09-05 | — | — | EP | claimed |
| WO-2006069080-A2 | PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2M3-B]PYRIMIDIN-4-YL-AMINES AS JANUS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2006-06-29 | — | — | WO | claimed |
| EP-2235010-A1 | BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS | AstraZeneca AB (SE) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009081197-A1 | BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS | ASTRAZENECA AB (SE) | 2009-07-02 | — | — | WO | disclosed |