⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5497761 | 0.76 | — | — | |
| SCHEMBL9751087 | 0.76 | — | — | |
| SCHEMBL11881378 | 0.75 | — | — | |
| SCHEMBL8580127 | 0.72 | — | — | |
| Phenol SCHEMBL9467194 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL8779775 | 0.67 | — | — | |
| SCHEMBL825498 | 0.67 | — | — | |
| SCHEMBL7921835 | 0.66 | — | — | |
| SCHEMBL9639223 | 0.66 | — | — | |
| SCHEMBL3309644 | 0.66 | MEN1 (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8957102-B2 | Heterocyclic compound as protein kinase inhibitor | NEOPHARM CO., LTD. (KR) | 2015-02-17 | — | — | US | disclosed |
| US-20120289509-A1 | HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR | NEOPHARM CO., LTD. (KR) | 2012-11-15 | — | — | US | disclosed |
| US-20110183983-A1 | HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR | NEOPHARM CO., LTD. (KR) | 2011-07-28 | — | — | US | disclosed |
| EP-2336123-A2 | HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR | Neopharm Co., Ltd. (KR) | 2011-06-22 | — | — | EP | disclosed |
| US-7030118-B2 | Pyrrolotriazinone compounds and their use to treat diseases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-04-18 | — | — | US | disclosed |
| EP-1519729-A1 | PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES | Bristol-Myers Squibb Company (US) | 2005-04-06 | — | — | EP | disclosed |
| US-20030232832-A1 | Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents | BRISTOL-MYERS SQUIBB COMPANY | 2003-12-18 | — | — | US | disclosed |
| WO-2003099286-A1 | PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |