Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 19/20 | 0.70 |
| ▸ | PIM1 | P11309 | 7/20 | 0.70 |
| ▸ | CCND1 | P24385 | 4/20 | 0.47 |
| ▸ | CDK4 | P11802 | 4/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | CDK9 | P50750 | 2/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.47 |
| ▸ | CDK7 | P50613 | 1/20 | 0.47 |
| ▸ | CCNH | P51946 | 1/20 | 0.47 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | CCNK | O75909 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29414482 | 0.81 | CDK6 (0.98) | CDK6PIM1CCND1CDK4CCNA2 | |
| Hydrochloric Acid SCHEMBL28601355 | 0.81 | CDK6 (0.98) | CDK6PIM1CCND1CDK4CCNA2 | |
| SCHEMBL28585099 | 0.80 | CDK6 (0.58) | CDK6PIM1CCND1CDK4CCNA2 | |
| SCHEMBL29414489 | 0.78 | CDK6 (0.75) | CDK6PIM1CCND1CDK4CCNA2 | |
| SCHEMBL28918194 | 0.78 | CDK6 (0.58) | CDK6PIM1PIK3CD | |
| SCHEMBL28604407 | 0.78 | CDK6 (0.60) | CDK6PIM1CCND1CDK4CCNA2 | |
| SCHEMBL29414448 | 0.78 | CDK6 (0.58) | CDK6PIM1PIK3CD | |
| SCHEMBL28591503 | 0.78 | CDK6 (0.63) | CDK6PIM1CCND1CDK4CCNA2 | |
| SCHEMBL28586631 | 0.77 | CDK6 (0.65) | CDK6PIM1CCND1CDK4CCNA2 | |
| SCHEMBL13276494 | 0.75 | PIK3CA (0.49) | CDK6PIM1PIK3CD |
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 |