Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 19/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL27082831 | 1.00 | ADORA2A (0.43) | ADORA2APTPN11KCNH2 | |
| SCHEMBL30835298 | 0.79 | PTPN11 (0.39) | PTPN11 | |
| SCHEMBL27082973 | 0.79 | PTPN11 (0.39) | PTPN11 | |
| SCHEMBL23901915 | 0.79 | PTPN11 (0.48) | PTPN11 | |
| SCHEMBL29930333 | 0.79 | PTPN11 (0.48) | PTPN11 | |
| SCHEMBL16914304 | 0.78 | PTPN11 (0.53) | PTPN11KCNH2 | |
| SCHEMBL31186964 | 0.78 | PTPN11 (0.53) | PTPN11KCNH2 | |
| SCHEMBL29481672 | 0.78 | PTPN11 (0.53) | PTPN11KCNH2 | |
| SCHEMBL29734926 | 0.78 | KDM4A (0.37) | ADORA2APTPN11KCNH2 | |
| SCHEMBL26920610 | 0.78 | KDM4A (0.37) | ADORA2APTPN11KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117836297-A | (S) -1- (5- ((pyridin-3-yl) thio) pyrazin-2-yl) -4'H,6' H-spiro [ piperidine-4, 5 '-pyrrolo [1,2-B ] pyrazol ] -4' -amine derivatives and similar compounds as SHP2 inhibitors for the treatment of, for example, cancer | 国家化学成分收集和筛选中心 | 2024-04-05 | — | — | CN | disclosed |