Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.62 |
| ▸ | IKBKB | O14920 | 4/20 | 0.52 |
| ▸ | CDK2 | P24941 | 3/20 | 0.51 |
| ▸ | CDK4 | P11802 | 2/20 | 0.51 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | CDK7 | P50613 | 1/20 | 0.51 |
| ▸ | CDK9 | P50750 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | BCR | P11274 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 3/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30237272 | 1.00 | DYRK1A (0.62) | DYRK1AIKBKBCDK2CDK4CCNE1 | |
| SCHEMBL29250285 | 0.86 | CDK2 (0.56) | DYRK1AIKBKBCDK2CDK4CCNE1 | |
| SCHEMBL30236813 | 0.86 | CDK2 (0.56) | DYRK1AIKBKBCDK2CDK4CCNE1 | |
| SCHEMBL30237443 | 0.83 | CDK2 (0.50) | DYRK1AIKBKBCDK2CDK4CCNE1 | |
| SCHEMBL29250121 | 0.83 | CDK2 (0.50) | DYRK1AIKBKBCDK2CDK4CCNE1 | |
| SCHEMBL30236998 | 0.82 | IKBKB (0.46) | DYRK1AIKBKBCDK2CDK4CCNE1 | |
| SCHEMBL29250039 | 0.82 | IKBKB (0.46) | DYRK1AIKBKBCDK2CDK4CCNE1 | |
| SCHEMBL30237191 | 0.79 | CDK2 (0.49) | DYRK1ACDK2CDK4CCNE1AURKA | |
| SCHEMBL29250067 | 0.79 | CDK2 (0.49) | DYRK1ACDK2CDK4CCNE1AURKA | |
| SCHEMBL7467187 | 0.77 | CDK2 (0.60) | IKBKBCDK2CDK4CCNE1AURKA |
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 |
|---|---|---|---|---|---|---|---|
| CN-115703760-B | 2, 4-Disubstituted pyrimidine cyclin dependent kinase enzyme inhibitor and preparation method and application thereof | 山东大学 | 2024-05-31 | — | — | CN | disclosed |
| CN-115703760-A | 2,4-disubstituted pyrimidines cyclin dependent kinase inhibitor and preparation method and application thereof | 山东大学 | 2023-02-17 | — | — | CN | disclosed |