Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 18/20 | 0.88 |
| ▸ | CDK6 | Q00534 | 16/20 | 0.88 |
| ▸ | CCND3 | P30281 | 16/20 | 0.88 |
| ▸ | CDK1 | P06493 | 13/20 | 0.88 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.88 |
| ▸ | CDK2 | P24941 | 4/20 | 0.88 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.88 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.88 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.88 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.88 |
| ▸ | CCND1 | P24385 | 2/20 | 0.88 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.88 |
| ▸ | CDK7 | P50613 | 2/20 | 0.88 |
| ▸ | CDK9 | P50750 | 2/20 | 0.88 |
| ▸ | CCNH | P51946 | 2/20 | 0.88 |
| ▸ | CIT | O14578 | 1/20 | 0.88 |
| ▸ | GAK | O14976 | 1/20 | 0.88 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.88 |
| ▸ | STK16 | O75716 | 1/20 | 0.88 |
| ▸ | CCNK | O75909 | 1/20 | 0.88 |
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 | |
|---|---|---|---|---|
| Abemaciclib SCHEMBL2487229 | 0.94 | CDK4 (1.00) | CDK4CDK6CCND3CDK1CCNA2 | |
| Abemaciclib SCHEMBL29423472 | 0.94 | CDK4 (1.00) | CDK4CDK6CCND3CDK1CCNA2 | |
| Abemaciclib SCHEMBL29356350 | 0.94 | CDK4 (1.00) | CDK4CDK6CCND3CDK1CCNA2 | |
| Abemaciclib SCHEMBL29591527 | 0.94 | CDK4 (1.00) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL24021429 | 0.92 | CDK4 (0.95) | CDK4CDK6CCND3CDK1CCNA2 | |
| Abemaciclib SCHEMBL3447033 | 0.90 | CDK4 (1.00) | CDK4CDK6CCND3CDK1CCNA2 | |
| Abemaciclib SCHEMBL29350113 | 0.90 | CDK4 (1.00) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL19057207 | 0.88 | CDK6 (0.90) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL17488745 | 0.88 | CDK4 (0.88) | CDK4CDK6CCND3CDK1CCNA2 | |
| SCHEMBL17489052 | 0.88 | CDK4 (0.88) | CDK4CDK6CCND3CDK1CCNA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3865488-A1 | MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) | 2021-08-18 | — | — | EP | disclosed |