Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 18/20 | 0.58 |
| ▸ | PIM1 | P11309 | 8/20 | 0.58 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CDK7 | P50613 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | CCNH | P51946 | 1/20 | 0.42 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28604407 | 0.86 | CDK6 (0.60) | CDK6PIM1CCNT1CDK4CCNA2 | |
| SCHEMBL28591503 | 0.84 | CDK6 (0.63) | CDK6PIM1CCNT1CDK4CCNA2 | |
| SCHEMBL29230283 | 0.82 | DYRK2 (0.60) | DYRK2 | |
| SCHEMBL28515668 | 0.82 | DYRK2 (0.56) | DYRK2 | |
| SCHEMBL28586631 | 0.82 | CDK6 (0.65) | CDK6PIM1CCNT1CDK4CCNA2 | |
| SCHEMBL28521145 | 0.81 | DYRK2 (0.61) | CDK6PIM1DYRK2 | |
| SCHEMBL28591501 | 0.80 | CDK6 (0.70) | CDK6PIM1CCNT1CDK4CCNA2 | |
| SCHEMBL28617904 | 0.79 | CCND1 (0.61) | CDK6CDK4CCND1 | |
| SCHEMBL29230263 | 0.78 | DYRK2 (0.45) | CDK6PIM1DYRK2 | |
| SCHEMBL28523398 | 0.78 | DYRK2 (0.52) | CDK6PIM1DYRK2 |
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-113135898-B | Anticancer quinoxaline pyrimidine amine heterocyclic compound and preparation method and application thereof | 中国药科大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-113135898-A | Anticancer quinoxaline pyrimidine amine heterocyclic compound and preparation method and application thereof | 中国药科大学 | 2021-07-20 | — | — | CN | disclosed |