Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 12/20 | 0.37 |
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.35 |
| ▸ | CCND1 | P24385 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.33 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22650421 | 0.89 | JAK2 (0.38) | EGFRCDK4CCNA2CCND1CDK2 | |
| SCHEMBL22650598 | 0.89 | EGFR (0.37) | EGFRCDK4CCNA2CCND1CDK2 | |
| SCHEMBL22650901 | 0.88 | CDK4 (0.45) | CDK4CCNA2CCND1CDK2CCNA1 | |
| SCHEMBL22650823 | 0.88 | CDK4 (0.45) | CDK4CCNA2CCND1CDK2CCNA1 | |
| SCHEMBL22650433 | 0.88 | EGFR (0.36) | EGFRCDK4GSK3BMAPK3MAPK1 | |
| SCHEMBL22650524 | 0.84 | CDK6 (0.38) | EGFRCDK4CCNA2CCND1CDK2 | |
| SCHEMBL22650922 | 0.84 | F10 (0.38) | EGFRJAK2JAK1JAK3MAPK8 | |
| SCHEMBL22650519 | 0.83 | EGFR (0.36) | EGFRCDK4CCNA2CCND1BRD4 | |
| SCHEMBL22650715 | 0.82 | CDK6 (0.35) | EGFRCDK4CCNA2CCND1GSK3B | |
| SCHEMBL22650427 | 0.82 | EGFR (0.36) | EGFRCDK4CCNA2JAK2JAK3 |
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-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |