Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 15/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 3/20 | 0.38 |
| ▸ | IDH1 | O75874 | 4/20 | 0.35 |
| ▸ | IDH2 | P48735 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13551772 | 0.93 | PLK1 (0.42) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL523020 | 0.92 | IDH1 (0.42) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL523021 | 0.92 | IDH1 (0.42) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL523542 | 0.90 | PLK1 (0.43) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL523872 | 0.90 | PLK1 (0.43) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL522743 | 0.89 | PLK1 (0.45) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL523763 | 0.89 | IDH1 (0.44) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL523764 | 0.89 | IDH1 (0.44) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL522540 | 0.89 | PLK1 (0.43) | PLK1BRD4BRDTTTKIDH1 | |
| SCHEMBL522608 | 0.89 | PLK1 (0.43) | PLK1BRD4BRDTTTKIDH1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011036566-A1 | METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-31 | — | — | WO | disclosed |