Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 12/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 12/20 | 0.39 |
| ▸ | LCK | P06239 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31054055 | 0.91 | LCK (0.40) | ATRPDCD1CD274LCKPDGFRB | |
| SCHEMBL28967358 | 0.79 | ATR (0.42) | ATRLCKSLC6A3PDGFRBFGFR1 | |
| SCHEMBL30137565 | 0.78 | NUDT1 (0.44) | ATRPDCD1CD274LCKPDGFRB | |
| SCHEMBL22789709 | 0.77 | SLC6A3 (0.44) | ATRPDCD1CD274SLC6A3NUDT1 | |
| SCHEMBL30683763 | 0.77 | SLC6A3 (0.44) | ATRPDCD1CD274SLC6A3NUDT1 | |
| SCHEMBL31053916 | 0.77 | LCK (0.43) | ATRLCKPDGFRBFGFR1SRC | |
| SCHEMBL20899380 | 0.75 | SLC6A3 (0.43) | ATRPDCD1CD274SLC6A3NUDT1 | |
| SCHEMBL30137525 | 0.74 | CNR1 (0.41) | ATRLCKPDGFRBFGFR1SRC | |
| SCHEMBL28967353 | 0.74 | CNR1 (0.41) | ATRLCKPDGFRBFGFR1SRC | |
| SCHEMBL28967339 | 0.73 | CCR4 (0.45) | ATRLCKPDGFRBFGFR1SRC |
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-115611869-B | Heterocyclic pyrazine derivative and application thereof in preparation of SHP2 inhibitor | 山东大学 | 2024-08-09 | — | — | CN | disclosed |
| CN-115611869-A | Heterocyclic pyrazine derivative and application thereof in preparation of SHP2 inhibitor | 山东大学 | 2023-01-17 | — | — | CN | disclosed |