⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL566062 | 0.78 | ALDH1A1 (0.64) | — | |
| SCHEMBL6874523 | 0.77 | — | — | |
| SCHEMBL43909 | 0.75 | ALDH1A1 (0.60) | — | |
| SCHEMBL232188 | 0.75 | MAPT (0.78) | — | |
| SCHEMBL2377559 | 0.74 | ALDH1A1 (0.73) | — | |
| SCHEMBL1759364 | 0.73 | ALDH1A1 (0.57) | — | |
| Ammonia Solution, Strong SCHEMBL9517245 | 0.73 | ALDH1A1 (0.57) | — | |
| SCHEMBL1562142 | 0.73 | MAPT (0.74) | — | |
| SCHEMBL6416019 | 0.73 | MAPT (0.74) | — | |
| SCHEMBL4946799 | 0.72 | ERCC1 (0.47) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1976836-B9 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | AMGEN INC (US) | 2013-02-06 | — | — | EP | disclosed |
| EP-1976836-B1 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | AMGEN INC (US) | 2012-08-22 | — | — | EP | disclosed |
| EP-2481729-A1 | Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases | Amgen Inc. (US) | 2012-08-01 | — | — | EP | disclosed |
| EP-1976836-A2 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | Amgen Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007076092-A2 | NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | AMGEN INC. (US) | 2007-07-05 | — | — | WO | disclosed |