⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8942591 | 0.93 | — | — | |
| SCHEMBL8942776 | 0.92 | — | — | |
| SCHEMBL13918743 | 0.92 | — | — | |
| SCHEMBL8942921 | 0.92 | PFKFB3 (0.45) | — | |
| SCHEMBL8943092 | 0.88 | JAK2 (0.41) | — | |
| SCHEMBL8942580 | 0.87 | — | — | |
| SCHEMBL15172176 | 0.87 | — | — | |
| SCHEMBL8942859 | 0.85 | PFKFB3 (0.39) | — | |
| SCHEMBL8942923 | 0.85 | PFKFB3 (0.40) | — | |
| SCHEMBL13918898 | 0.84 | DYRK1A (0.47) | — |
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 4 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-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-20090176763-A1 | Azaindoles useful as inhibitors of JAK and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2009-07-09 | — | — | US | disclosed |