Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Alisertib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA known ✓ | O14965 | 7/20 | 0.86 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.86 |
| ▸ | KDR | P35968 | 4/20 | 0.86 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.86 |
| ▸ | PLK4 | O00444 | 2/20 | 0.86 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.86 |
| ▸ | ABL1 | P00519 | 2/20 | 0.86 |
| ▸ | EGFR | P00533 | 2/20 | 0.86 |
| ▸ | LCK | P06239 | 2/20 | 0.86 |
| ▸ | HCK | P08631 | 2/20 | 0.86 |
| ▸ | ROS1 | P08922 | 2/20 | 0.86 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.86 |
| ▸ | SRC | P12931 | 2/20 | 0.86 |
| ▸ | FER | P16591 | 2/20 | 0.86 |
| ▸ | FLT1 | P17948 | 2/20 | 0.86 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.86 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.86 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.86 |
| ▸ | GRK5 | P34947 | 2/20 | 0.86 |
| ▸ | ABL2 | P42684 | 2/20 | 0.86 |
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 | |
|---|---|---|---|---|
| Alisertib SCHEMBL854552 | 1.00 | AURKA (0.86) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL29664627 | 1.00 | AURKA (0.86) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL31486942 | 0.99 | AURKA (0.85) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL14125415 | 0.99 | AURKA (0.85) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL30405856 | 0.99 | AURKA (0.85) | AURKAAURKBKDRGABRA1PLK4 | |
| SCHEMBL12454978 | 0.93 | AURKA (0.89) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL855823 | 0.93 | AURKA (1.00) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL29354333 | 0.93 | AURKA (1.00) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL29720486 | 0.93 | AURKA (1.00) | AURKAAURKBKDRGABRA1PLK4 | |
| Alisertib SCHEMBL29437869 | 0.93 | AURKA (1.00) | AURKAAURKBKDRGABRA1PLK4 |
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-116334024-A | Aurora kinase B gene K85 and K87 mutation and application thereof | 北京大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-116004567-A | Aurora kinase B gene K202 mutation and application thereof | 北京大学 | 2023-04-25 | — | — | CN | disclosed |