⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL99602 | 1.00 | — | — | |
| SCHEMBL101565 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL29540586 | 0.79 | JAK1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL99601 | 0.79 | JAK2 (0.34) | — | |
| SCHEMBL99228 | 0.70 | JAK2 (0.38) | — | |
| SCHEMBL99547 | 0.70 | JAK2 (0.33) | — | |
| SCHEMBL15413003 | 0.68 | JAK2 (0.33) | — | |
| SCHEMBL5135389 | 0.68 | KDM4E (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL4093227 | 0.68 | JAK2 (0.59) | — | |
| SCHEMBL102801 | 0.67 | JAK2 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3838903-B1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR | INCYTE HOLDINGS CORP (US) | 2023-11-22 | — | — | EP | disclosed |
| US-11331320-B2 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | INCYTE HOLDINGS CORPORATION (US) | 2022-05-17 | — | — | US | disclosed |