Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 6/20 | 0.54 |
| ▸ | AURKA | O14965 | 4/20 | 0.54 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 4/20 | 0.49 |
| ▸ | JAK2 | O60674 | 2/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | FGFR4 | P22455 | 3/20 | 0.48 |
| ▸ | CDK1 | P06493 | 2/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | INSR | P06213 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | FLT1 | P17948 | 1/20 | 0.48 |
| ▸ | FLT4 | P35916 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | CDK7 | P50613 | 1/20 | 0.48 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.48 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.48 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20012909 | 0.91 | PDGFRB (0.50) | CDK4AURKAALKEGFRJAK2 | |
| SCHEMBL20012916 | 0.88 | JAK2 (0.60) | CDK4AURKAALKEGFRJAK2 | |
| SCHEMBL20012903 | 0.88 | SYK (0.53) | CDK4AURKAJAK2CCND3CCNA2 | |
| SCHEMBL20012912 | 0.87 | ALK (0.62) | CDK4AURKAALKEGFRJAK2 | |
| SCHEMBL20012911 | 0.87 | EGFR (0.57) | CDK4AURKAALKEGFRJAK2 | |
| SCHEMBL20012950 | 0.87 | AURKA (0.54) | CDK4AURKAALKEGFRJAK2 | |
| SCHEMBL20012919 | 0.87 | ALK (0.58) | CDK4AURKAALKJAK2CDK1 | |
| SCHEMBL20012936 | 0.85 | WEE1 (0.47) | CDK4EGFRJAK2BRD4FGFR4 | |
| SCHEMBL20012983 | 0.85 | EGFR (0.54) | CDK4AURKAALKEGFRJAK2 | |
| SCHEMBL20012944 | 0.83 | TNK2 (0.53) | JAK2BRD4PDGFRBPDGFRATNK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018056621-A1 | NOVEL IMIDAZOLYL PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER | 재단법인 대구경북첨단의료산업진흥재단 | 2018-03-29 | — | — | WO | disclosed |