Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 3/20 | 0.44 |
| ▸ | CDK9 | P50750 | 3/20 | 0.44 |
| ▸ | EGFR | P00533 | 4/20 | 0.42 |
| ▸ | JAK3 | P52333 | 3/20 | 0.42 |
| ▸ | ITK | Q08881 | 2/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.42 |
| ▸ | MET | P08581 | 3/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | ULK1 | O75385 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.41 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13901388 | 0.92 | ULK1 (0.43) | EGFRJAK3ITKALKMET | |
| SCHEMBL13898492 | 0.90 | TBK1 (0.51) | CCNT1CDK9EGFRJAK3ITK | |
| SCHEMBL13901511 | 0.90 | TBK1 (0.46) | EGFRJAK3ITKALKMET | |
| SCHEMBL13901539 | 0.88 | JAK3 (0.43) | EGFRJAK3ITKALKMET | |
| SCHEMBL13901471 | 0.88 | MET (0.43) | EGFRJAK3ITKALKMET | |
| SCHEMBL13901594 | 0.87 | BTK (0.45) | CCNT1CDK9EGFRJAK3ITK | |
| SCHEMBL13901597 | 0.86 | NTRK1 (0.44) | EGFRJAK3ITKALKMET | |
| SCHEMBL13901493 | 0.85 | MEN1 (0.41) | EGFRJAK3ITKALKMET | |
| SCHEMBL13901592 | 0.85 | BRD4 (0.45) | EGFRJAK3ALKMETULK1 | |
| SCHEMBL13901500 | 0.85 | MET (0.41) | EGFRJAK3ITKALKMET |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7504410-B2 | Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |