⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8943713 | 0.92 | — | — | |
| SCHEMBL2630044 | 0.92 | — | — | |
| SCHEMBL8942899 | 0.92 | — | — | |
| SCHEMBL8943190 | 0.91 | — | — | |
| SCHEMBL8943088 | 0.90 | JAK1 (0.40) | — | |
| SCHEMBL8943427 | 0.89 | — | — | |
| SCHEMBL8943096 | 0.89 | — | — | |
| SCHEMBL8943623 | 0.89 | — | — | |
| SCHEMBL8943303 | 0.89 | — | — | |
| SCHEMBL8943760 | 0.86 | — | — |
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-8188281-B2 | Azaindoles useful as inhibitors of JAK and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-29 | — | — | US | disclosed |
| US-20090176763-A1 | Azaindoles useful as inhibitors of JAK and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2009-07-09 | — | — | US | disclosed |
| US-7507826-B2 | Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-03-24 | — | — | US | disclosed |