⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4818120 | 0.82 | — | — | |
| SCHEMBL4808887 | 0.76 | KMT2A (0.30) | — | |
| SCHEMBL4810769 | 0.73 | PDK2 (0.33) | — | |
| SCHEMBL4814771 | 0.70 | ESR1 (0.33) | — | |
| SCHEMBL4815280 | 0.69 | ESR2 (0.37) | — | |
| SCHEMBL22531911 | 0.62 | POLB (0.34) | — | |
| SCHEMBL9049281 | 0.61 | MAP3K14 (0.38) | — | |
| SCHEMBL12490350 | 0.61 | RXRA (0.37) | — | |
| SCHEMBL4816490 | 0.61 | ESR1 (0.33) | — | |
| SCHEMBL4818565 | 0.61 | KDM4E (0.36) | — |
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 3 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 |
| US-20060014816-A1 | Tricyclic pyrazole kinase inhibitors | ABBVIE INC. | 2006-01-19 | — | — | US | disclosed |