⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25698197 | 0.77 | KDM4E (0.39) | — | |
| SCHEMBL21625294 | 0.76 | — | — | |
| SCHEMBL18505960 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL23339673 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL24867906 | 0.71 | — | — | |
| SCHEMBL10092851 | 0.71 | — | — | |
| SCHEMBL25897425 | 0.70 | — | — | |
| SCHEMBL25900495 | 0.68 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL25800862 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL12908851 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10968205-B2 | Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-04-06 | — | — | US | disclosed |
| US-20200216423-A1 | PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-07-09 | — | — | US | disclosed |
| US-20190315724-A1 | PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-10-17 | — | — | US | disclosed |