⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL99678 | 0.76 | — | — | |
| SCHEMBL100934 | 0.71 | JAK2 (0.30) | — | |
| SCHEMBL102226 | 0.70 | JAK2 (0.39) | — | |
| SCHEMBL15412937 | 0.70 | JAK2 (0.38) | — | |
| SCHEMBL5135389 | 0.69 | KDM4E (0.44) | — | |
| SCHEMBL2383226 | 0.69 | JAK2 (0.35) | — | |
| SCHEMBL24258068 | 0.68 | L3MBTL1 (0.33) | — | |
| SCHEMBL15413003 | 0.68 | JAK2 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL101065 | 0.66 | JAK1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL29540586 | 0.66 | JAK1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2426129-A1 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | Incyte Corporation (US) | 2012-03-07 | — | — | EP | disclosed |