⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27638907 | 0.75 | — | — | |
| SCHEMBL11511284 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL5423678 | 0.69 | — | — | |
| SCHEMBL11049600 | 0.67 | — | — | |
| SCHEMBL6347486 | 0.67 | — | — | |
| SCHEMBL1344092 | 0.67 | — | — | |
| SCHEMBL13285522 | 0.65 | — | — | |
| SCHEMBL3446836 | 0.65 | — | — | |
| SCHEMBL30748826 | 0.65 | — | — | |
| SCHEMBL1440202 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1922182-B | Pyrrolotriazine compounds as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2010-08-18 | — | — | CN | disclosed |
| CN-101723948-A | C-6 modified indazolylpyrrolotriazines | BRISTOL MYERS SQUIBB CO | 2010-06-09 | — | — | CN | disclosed |
| CN-1922182-A | Pyrrolotriazine compounds as kinase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-02-28 | — | — | CN | disclosed |
| CN-1726216-A | C-6 modified indazolylpyrrolotriazines | BRISTOL MYERS SQUIBB CO (US) | 2006-01-25 | — | — | CN | disclosed |