Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHUK | O15111 | 12/20 | 0.65 |
| ▸ | GRM5 | P41594 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 6/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | LTK | P29376 | 1/20 | 0.43 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13539589 | 0.84 | CHUK (0.50) | CHUKGRM5IKBKBLRRK2JAK2 | |
| SCHEMBL22609954 | 0.83 | CHUK (0.63) | CHUKIKBKBADORA2ANUDT1ADORA1 | |
| SCHEMBL22609952 | 0.83 | CHUK (0.49) | CHUKGRM5IKBKBLRRK2NUDT1 | |
| SCHEMBL15032863 | 0.77 | JAK3 (0.68) | CHUKIKBKBLRRK2JAK2JAK3 | |
| SCHEMBL743277 | 0.74 | LRRK2 (0.46) | CHUKGRM5IKBKBLRRK2ADORA2A | |
| SCHEMBL4753476 | 0.72 | CHUK (0.51) | CHUKADORA2ANUDT1JAK2ADORA1 | |
| SCHEMBL7846652 | 0.72 | XDH (0.51) | GRM5LRRK2DYRK1A | |
| SCHEMBL7021288 | 0.70 | LRRK2 (0.63) | CHUKIKBKBLRRK2JAK2JAK3 | |
| SCHEMBL20162906 | 0.70 | LRRK2 (0.45) | CHUKGRM5IKBKBLRRK2JAK2 | |
| SCHEMBL2933188 | 0.69 | CHUK (0.48) | CHUKADORA2ANUDT1JAK2ADORA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114127063-B | Pyrimidine five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor | 上海仕谱生物科技有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-114127063-A | Pyrimido five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor | 上海仕谱生物科技有限公司 | 2022-03-01 | — | — | CN | disclosed |
| CN-111825674-A | Pyrimido five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor | 上海仕谱生物科技有限公司 | 2020-10-27 | — | — | CN | disclosed |