Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 14/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | WNT1 | P04628 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | CLK3 | P49761 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | DYRK4 | Q9NR20 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | ETV6 | P41212 | 1/20 | 0.30 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22762269 | 0.86 | CTPS1 (0.44) | CTPS1GSK3BDYRK1ACLK2CLK3 | |
| SCHEMBL30528887 | 0.86 | CTPS1 (0.54) | CTPS1CTPS2 | |
| SCHEMBL22749234 | 0.79 | CTPS1 (0.54) | CTPS1 | |
| SCHEMBL29565873 | 0.79 | CTPS1 (0.54) | CTPS1 | |
| SCHEMBL22758532 | 0.76 | CTPS1 (0.60) | CTPS1 | |
| SCHEMBL22762663 | 0.75 | CTPS1 (0.63) | CTPS1 | |
| SCHEMBL22762268 | 0.73 | CTPS1 (0.58) | CTPS1CTPS2 | |
| Hydrochloric Acid SCHEMBL29565805 | 0.73 | CTPS1 (0.58) | CTPS1CTPS2 | |
| SCHEMBL30528738 | 0.70 | CTPS1 (0.64) | CTPS1 | |
| SCHEMBL22758546 | 0.68 | CTPS1 (0.62) | CTPS1 |
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-2020245665-A1 | N-(4-(5-CHLOROPYRIDIN-3-YL)PHENYL)-2-(2-(CYCLOPROPANESULFONAMIDO)PYRIMIDIN-4-YL) BUTANAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | STEP PHARMA S.A.S. (FR) | 2020-12-10 | — | — | WO | disclosed |