⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22828545 | 0.70 | HTT (0.32) | — | |
| SCHEMBL22828546 | 0.70 | — | — | |
| SCHEMBL10970818 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL519253 | 0.68 | — | — | |
| SCHEMBL22828906 | 0.65 | L3MBTL1 (0.36) | — | |
| SCHEMBL31374146 | 0.62 | — | — | |
| SCHEMBL520104 | 0.62 | SLC6A2 (0.30) | — | |
| SCHEMBL10259107 | 0.61 | — | — | |
| SCHEMBL31374094 | 0.60 | — | — | |
| SCHEMBL13308434 | 0.60 | AHR (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376491-B1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | CEPHALON INC (US) | 2015-03-04 | — | — | EP | disclosed |
| US-8471005-B2 | Pyrrolotriazines as ALK and JAK2 inhibitors | CEPHALON, INC. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20120028919-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | CEPHALON, INC. (US) | 2012-02-02 | — | — | US | disclosed |
| EP-2376491-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | Cephalon, Inc. (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010071885-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | CEPHALON, INC. (US) | 2010-06-24 | — | — | WO | disclosed |