Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL20189957 | 0.81 | MAPKAPK2 (0.35) | MAPKAPK2ALDH1A1 | |
| SCHEMBL23694612 | 0.77 | ALDH1A1 (0.39) | MAPKAPK2ALDH1A1 | |
| SCHEMBL28385522 | 0.74 | — | — | |
| SCHEMBL30121642 | 0.74 | — | — | |
| SCHEMBL30683717 | 0.72 | — | — | |
| SCHEMBL1731903 | 0.68 | — | — | |
| SCHEMBL19785236 | 0.68 | — | — | |
| SCHEMBL29734886 | 0.68 | — | — | |
| SCHEMBL21921215 | 0.68 | LRRK2 (0.37) | MAPKAPK2ALDH1A1 | |
| SCHEMBL1506464 | 0.67 | — | — |
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 |