Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WEE1 | P30291 | 3/20 | 0.45 |
| ▸ | PAK1 | Q13153 | 4/20 | 0.45 |
| ▸ | PKN1 | Q16512 | 2/20 | 0.45 |
| ▸ | PAK4 | O96013 | 2/20 | 0.45 |
| ▸ | PAK3 | O75914 | 2/20 | 0.43 |
| ▸ | PAK2 | Q13177 | 2/20 | 0.43 |
| ▸ | LYN | P07948 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 10/20 | 0.42 |
| ▸ | CCND1 | P24385 | 7/20 | 0.42 |
| ▸ | CCND2 | P30279 | 6/20 | 0.42 |
| ▸ | CCND3 | P30281 | 6/20 | 0.42 |
| ▸ | CDK9 | P50750 | 5/20 | 0.39 |
| ▸ | AURKA | O14965 | 4/20 | 0.39 |
| ▸ | CDK7 | P50613 | 4/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.39 |
| ▸ | CDK2 | P24941 | 4/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4225865 | 0.91 | WEE1 (0.54) | WEE1PAK1PKN1PAK4PAK3 | |
| SCHEMBL4216668 | 0.90 | WEE1 (0.47) | WEE1PAK1PKN1PAK4PAK3 | |
| SCHEMBL4232772 | 0.90 | CCND3 (0.51) | WEE1PAK1PKN1PAK4PAK3 | |
| SCHEMBL4225936 | 0.88 | CDK4 (0.47) | WEE1PAK1PKN1PAK4PAK3 | |
| SCHEMBL3339620 | 0.79 | CDK4 (0.55) | PAK1PKN1PAK4CDK4CCND1 | |
| SCHEMBL189156 | 0.78 | WEE1 (0.54) | WEE1PAK1PKN1PAK4PAK3 | |
| SCHEMBL188946 | 0.78 | WEE1 (0.47) | WEE1PAK1PKN1PAK4PAK3 | |
| SCHEMBL188843 | 0.77 | PTK2 (0.50) | WEE1PAK1PKN1PAK4LYN | |
| SCHEMBL4213976 | 0.77 | CDK4 (0.60) | PAK1PKN1PAK4CDK4CCND1 | |
| SCHEMBL3337716 | 0.77 | CDK4 (0.64) | CDK4CCND1CCND2CCND3CDK9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1931670-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3K | Exelixis, Inc. (US) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007044698-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα | EXELIXIS, INC. (US) | 2007-04-19 | — | — | WO | disclosed |