Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 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 | 0.79 | LCK (0.40) | NUDT1LCKATRPDGFRBFGFR1 | |
| SCHEMBL30137586 | 0.78 | ATR (0.42) | NUDT1LCKCNR2ATRPDGFRB | |
| SCHEMBL29008076 | 0.76 | MAPKAPK2 (0.46) | LCKCDK9ATRGSK3BDYRK1A | |
| SCHEMBL31053916 | 0.75 | LCK (0.43) | LCKPTPN11ATRMAPKAPK2PDGFRB | |
| SCHEMBL6078486 | 0.75 | SMN1; SMN2 (0.41) | LCKCDK9RORCATRGSK3B | |
| SCHEMBL28146075 | 0.72 | MEN1 (0.60) | LCK | |
| SCHEMBL28967353 | 0.72 | CNR1 (0.41) | LCKPTPN11RORCATRMAPKAPK2 | |
| SCHEMBL30137525 | 0.72 | CNR1 (0.41) | LCKPTPN11RORCATRMAPKAPK2 | |
| SCHEMBL18308988 | 0.71 | GSK3B (0.47) | LCKCDK9RORCATRGSK3B | |
| SCHEMBL28041 | 0.71 | PTK2 (0.61) | — |
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 |