Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.59 |
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | GRK2 | P25098 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | PRKCH | P24723 | 1/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | LYN | P07948 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL3354836 | 1.00 | ROCK2 (0.59) | ROCK2AAK1HDAC8GRK2CHEK1 | |
| SCHEMBL17653243 | 0.82 | AAK1 (0.73) | AAK1CHEK1GSK3BMKNK1BMP2K | |
| SCHEMBL3383164 | 0.82 | ROCK2 (0.63) | ROCK2GRK2ROCK1 | |
| SCHEMBL3383157 | 0.82 | ROCK2 (0.63) | ROCK2GRK2ROCK1 | |
| SCHEMBL3354842 | 0.79 | ROCK2 (0.48) | ROCK2AAK1GRK2CHEK1GSK3B | |
| SCHEMBL3386619 | 0.73 | ROCK2 (0.75) | ROCK2ROCK1 | |
| SCHEMBL3387757 | 0.73 | ROCK2 (0.67) | ROCK2ROCK1 | |
| SCHEMBL3386625 | 0.73 | ROCK2 (0.75) | ROCK2ROCK1 | |
| SCHEMBL3389658 | 0.73 | ROCK2 (0.75) | ROCK2ROCK1 | |
| SCHEMBL3387761 | 0.73 | ROCK2 (0.67) | ROCK2ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010056758-A1 | QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010056758-A1 | QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-05-20 | — | — | WO | disclosed |