Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.50 |
| ▸ | CLK1 | P49759 | 3/20 | 0.50 |
| ▸ | CLK2 | P49760 | 2/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27082731 | 1.00 | CLK4 (0.50) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL27082684 | 0.83 | CLK4 (0.50) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL30133420 | 0.83 | CLK4 (0.50) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL26920300 | 0.82 | CLK4 (0.49) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL20305447 | 0.82 | CLK4 (0.52) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL19641069 | 0.81 | CLK4 (0.51) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL19641279 | 0.80 | NPC1 (0.50) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL30835278 | 0.77 | NPC1 (0.62) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL26920513 | 0.77 | CLK4 (0.45) | CLK4DYRK1ACLK1CLK2DYRK1B | |
| SCHEMBL23152068 | 0.75 | KDM4E (0.46) | CLK4DYRK1ACLK1CLK2DYRK1B |
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 |