Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 6/20 | 0.35 |
| ▸ | CCND3 | P30281 | 4/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 5/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 2/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | MAPK3 | P27361 | 5/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.32 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22650455 | 0.92 | PIK3CG (0.35) | CDK6CDK4CDK1CCND1CCNB1 | |
| SCHEMBL22650766 | 0.89 | JAK2 (0.39) | CDK6CDK4CDK1CCND1CCNB1 | |
| SCHEMBL22650755 | 0.89 | CDK4 (0.42) | CDK6CCND3CDK4CDK1CCND1 | |
| SCHEMBL22650524 | 0.85 | CDK6 (0.38) | CDK6CCND3EGFRCDK4CDK1 | |
| SCHEMBL22650922 | 0.85 | F10 (0.38) | EGFRMAPK8MAP3K14JAK2 | |
| SCHEMBL22650597 | 0.82 | EGFR (0.37) | EGFRCDK4CCND1MAPK3MAPK1 | |
| SCHEMBL22650519 | 0.82 | EGFR (0.36) | CDK6CCND3EGFRCDK4CDK1 | |
| SCHEMBL22650433 | 0.81 | EGFR (0.36) | CDK6CCND3EGFRCDK4MAPK3 | |
| SCHEMBL22650427 | 0.80 | EGFR (0.36) | CDK6CCND3EGFRCDK4CDK1 | |
| SCHEMBL22650705 | 0.77 | CDK6 (0.39) | CDK6CCND3CDK4CDK1CCND1 |
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 |