⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13513338 | 0.79 | — | — | |
| SCHEMBL14613215 | 0.77 | — | — | |
| SCHEMBL733164 | 0.72 | — | — | |
| SCHEMBL8611167 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL4267041 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL61972 | 0.69 | — | — | |
| SCHEMBL2783340 | 0.69 | — | — | |
| SCHEMBL20772908 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL20772909 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL268362 | 0.69 | — | — |
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-20100216791-A1 | PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA (SE) | 2010-08-26 | — | — | US | claimed |
| WO-2008020203-A1 | PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | claimed |
| US-20100216791-A1 | PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA (SE) | 2010-08-26 | — | — | US | disclosed |
| WO-2008020203-A1 | PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |