⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL91111 | 0.83 | GSK3B (0.35) | — | |
| SCHEMBL13060369 | 0.79 | MEN1 (0.37) | — | |
| SCHEMBL19796066 | 0.71 | MAPT (0.41) | — | |
| SCHEMBL30702750 | 0.70 | PAK4 (0.38) | — | |
| SCHEMBL14026511 | 0.70 | PAK4 (0.38) | — | |
| SCHEMBL91092 | 0.69 | — | — | |
| SCHEMBL13060371 | 0.68 | JAK2 (0.31) | — | |
| SCHEMBL14026508 | 0.67 | PDE2A (0.38) | — | |
| SCHEMBL23011369 | 0.66 | — | — | |
| SCHEMBL61333 | 0.66 | KMT2A (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120142660-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-07 | — | — | US | disclosed |