⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4820639 | 0.74 | TYMS (0.36) | — | |
| SCHEMBL4808718 | 0.71 | PTGS2 (0.40) | — | |
| SCHEMBL4814288 | 0.69 | PBRM1 (0.47) | — | |
| SCHEMBL4014088 | 0.68 | TDP2 (0.45) | — | |
| SCHEMBL4815186 | 0.67 | PTGS2 (0.41) | — | |
| SCHEMBL1229717 | 0.66 | KEAP1 (0.42) | — | |
| SCHEMBL4816161 | 0.66 | MAOB (0.46) | — | |
| SCHEMBL14346731 | 0.65 | HSD17B10 (0.37) | — | |
| SCHEMBL11917771 | 0.65 | PBRM1 (0.41) | — | |
| SCHEMBL1340232 | 0.65 | TYMS (0.35) | — |
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-1740579-B1 | TRICYCLIC PYRAZOLE KINASE INHIBITORS | ABBVIE INC (US) | 2015-08-19 | — | — | EP | disclosed |
| US-7468371-B2 | Tricyclic pyrazole kinase inhibitors | ABBOTT LABORATORIES INC. (US) | 2008-12-23 | — | — | US | disclosed |
| EP-1740579-A1 | TRICYCLIC PYRAZOLE KINASE INHIBITORS | Abbott Laboratories (US) | 2007-01-10 | — | — | EP | disclosed |
| US-20060014816-A1 | Tricyclic pyrazole kinase inhibitors | ABBVIE INC. | 2006-01-19 | — | — | US | disclosed |
| WO-2005095387-A1 | TRICYCLIC PYRAZOLE KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2005-10-13 | — | — | WO | disclosed |