⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL76760 | 0.80 | AURKB (0.40) | — | |
| SCHEMBL76758 | 0.80 | AURKB (0.40) | — | |
| SCHEMBL78709 | 0.77 | SYK (0.32) | — | |
| SCHEMBL78710 | 0.77 | SYK (0.32) | — | |
| SCHEMBL86032 | 0.76 | SNCA (0.33) | — | |
| SCHEMBL77868 | 0.76 | SYK (0.37) | — | |
| SCHEMBL77867 | 0.76 | SYK (0.37) | — | |
| SCHEMBL86105 | 0.74 | SYK (0.36) | — | |
| SCHEMBL86170 | 0.74 | GAA (0.37) | — | |
| SCHEMBL86465 | 0.74 | RAF1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129396-B2 | 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors | TELIK, INC. (US) | 2012-03-06 | — | — | US | disclosed |
| US-20100081653-A1 | 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors | TELIK, INC. | 2010-04-01 | — | — | US | disclosed |