Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 20/20 | 0.75 |
| ▸ | CDK4 | P11802 | 19/20 | 0.75 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.75 |
| ▸ | CDK2 | P24941 | 5/20 | 0.75 |
| ▸ | CSF1R | P07333 | 3/20 | 0.75 |
| ▸ | CCNK | O75909 | 1/20 | 0.75 |
| ▸ | CDK7 | P50613 | 1/20 | 0.75 |
| ▸ | CDK9 | P50750 | 1/20 | 0.75 |
| ▸ | CCNH | P51946 | 1/20 | 0.75 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.75 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.75 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.63 |
| ▸ | CCND3 | P30281 | 3/20 | 0.57 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | PIM1 | P11309 | 1/20 | 0.55 |
| ▸ | CCND1 | P24385 | 1/20 | 0.55 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.55 |
| ▸ | JAK3 | P52333 | 1/20 | 0.55 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29674674 | 1.00 | CDK6 (0.75) | CDK6CDK4CCNA2CDK2CSF1R | |
| SCHEMBL21267755 | 0.89 | CDK4 (0.75) | CDK6CDK4CCNA2CDK2CSF1R | |
| SCHEMBL24632783 | 0.86 | CDK6 (0.65) | CDK6CDK4CCNA2CDK2CSF1R | |
| SCHEMBL24632519 | 0.86 | CDK6 (0.65) | CDK6CDK4CCNA2CDK2CSF1R | |
| Inixaciclib SCHEMBL29780787 | 0.85 | CDK4 (1.00) | CDK6CDK4CCNA2CDK2CSF1R | |
| Inixaciclib SCHEMBL21245766 | 0.85 | CDK4 (1.00) | CDK6CDK4CCNA2CDK2CSF1R | |
| SCHEMBL21267760 | 0.85 | CDK4 (0.75) | CDK6CDK4CCNA2CDK2CSF1R | |
| SCHEMBL21267494 | 0.85 | CDK4 (0.75) | CDK6CDK4CCNA2CDK2CSF1R | |
| Inixaciclib SCHEMBL21245586 | 0.85 | CDK4 (0.98) | CDK6CDK4CCNA2CDK2CSF1R | |
| Inixaciclib SCHEMBL30063971 | 0.85 | CDK4 (0.98) | CDK6CDK4CCNA2CDK2CSF1R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4013743-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Nuvation Bio Inc. (US) | 2022-06-22 | — | — | EP | disclosed |
| CN-114502536-A | Heterocyclic compounds as kinase inhibitors | 诺维逊生物股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| WO-2021030623-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-02-18 | — | — | WO | disclosed |