⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3676938 | 0.80 | PAK4 (0.34) | — | |
| SCHEMBL3676940 | 0.80 | PAK4 (0.34) | — | |
| SCHEMBL91092 | 0.80 | — | — | |
| SCHEMBL61335 | 0.78 | AURKA (0.33) | — | |
| SCHEMBL3628263 | 0.77 | CNR2 (0.30) | — | |
| SCHEMBL3718029 | 0.77 | ITK (0.36) | — | |
| SCHEMBL13004285 | 0.74 | AURKA (0.41) | — | |
| SCHEMBL14025196 | 0.73 | HRH4 (0.32) | — | |
| SCHEMBL3666391 | 0.73 | JAK1 (0.34) | — | |
| SCHEMBL13004717 | 0.72 | AURKA (0.41) | — |
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-8785444-B2 | Thiazoles and pyrazoles useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-22 | — | — | US | disclosed |
| US-20130116228-A1 | THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-09 | — | — | US | disclosed |
| US-8268811-B2 | Thiazoles and pyrazoles useful as kinase inhibitors | VERTEX PHARMACEUTICALS INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100317641-A1 | THIAZOLES AND PYRAZOLES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-16 | — | — | US | disclosed |