⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL916719 | 0.86 | POLB (0.36) | — | |
| SCHEMBL3432876 | 0.83 | ALOX5 (0.32) | — | |
| SCHEMBL3923615 | 0.81 | PAK1 (0.40) | — | |
| SCHEMBL915798 | 0.80 | DRD2 (0.36) | — | |
| SCHEMBL3932218 | 0.79 | DKK1 (0.36) | — | |
| SCHEMBL3928070 | 0.78 | ROCK2 (0.37) | — | |
| SCHEMBL3923740 | 0.76 | SMO (0.40) | — | |
| SCHEMBL3926065 | 0.76 | PIK3CB (0.36) | — | |
| SCHEMBL10292479 | 0.76 | IGF1R (0.46) | — | |
| SCHEMBL3929552 | 0.75 | HDAC4 (0.32) | — |
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-8212031-B2 | Pyrrolotriazine kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-07-03 | — | — | US | disclosed |
| US-20110003821-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-06 | — | — | US | disclosed |
| EP-2262806-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009111531-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-11 | — | — | WO | disclosed |