Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL30833161 | 0.98 | NUDT1 (0.39) | NUDT1SRCL3MBTL1DYRK1A | |
| SCHEMBL24521477 | 0.73 | NUDT1 (0.39) | NUDT1SRCL3MBTL1DYRK1A | |
| SCHEMBL9611700 | 0.73 | L3MBTL1 (0.47) | NUDT1SRCL3MBTL1DYRK1A | |
| SCHEMBL2658965 | 0.73 | NUDT1 (0.39) | NUDT1SRCL3MBTL1DYRK1A | |
| SCHEMBL13229296 | 0.73 | AXL (0.46) | NUDT1SRCL3MBTL1DYRK1A | |
| SCHEMBL21718781 | 0.71 | NUDT1 (0.36) | NUDT1SRCL3MBTL1 | |
| SCHEMBL31391522 | 0.69 | SRC (0.44) | NUDT1SRCDYRK1A | |
| SCHEMBL31156498 | 0.69 | CDK2 (0.50) | NUDT1SRC | |
| SCHEMBL23114458 | 0.69 | NUDT1 (0.35) | NUDT1SRCL3MBTL1 | |
| SCHEMBL15158580 | 0.69 | NUDT1 (0.35) | NUDT1SRCL3MBTL1 |
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 |