Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | AURKA | O14965 | 2/20 | 0.48 |
| ▸ | PIM1 | P11309 | 2/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.48 |
| ▸ | PRKCG | P05129 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | LYN | P07948 | 1/20 | 0.48 |
| ▸ | KIT | P10721 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.48 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | MARK3 | P27448 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29866713 | 1.00 | CDC7 (0.49) | CDC7MAPK8MAPTAURKAPIM1 | |
| SCHEMBL28395245 | 0.91 | NPC1 (0.51) | CDC7MAPK8MAPTAURKAPIM1 | |
| SCHEMBL29865902 | 0.91 | NPC1 (0.51) | CDC7MAPK8MAPTAURKAPIM1 | |
| SCHEMBL28396622 | 0.88 | MAPT (0.54) | MAPTNPC1FGFR1CDK2MAPK1 | |
| SCHEMBL29866340 | 0.87 | AURKA (0.66) | MAPK8MAPTAURKAPIM1CHEK1 | |
| SCHEMBL28398207 | 0.87 | AURKA (0.66) | MAPK8MAPTAURKAPIM1CHEK1 | |
| SCHEMBL28405713 | 0.81 | AURKA (0.54) | MAPTAURKAPIM1CHEK1IKBKB | |
| SCHEMBL29866211 | 0.81 | AURKA (0.54) | MAPTAURKAPIM1CHEK1IKBKB | |
| SCHEMBL28405661 | 0.79 | AURKA (0.45) | MAPK8MAPTAURKAPIM1CHEK1 | |
| SCHEMBL29866256 | 0.78 | NPC1 (0.43) | MAPTAURKAPIM1CHEK1IKBKB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111004215-B | 2, 4-substituted pyrimidine derivatives, preparation method thereof and application thereof in preparing antitumor drugs | 华北理工大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-111004215-A | 2, 4-substituted pyrimidine derivatives, preparation method thereof and application thereof in preparing antitumor drugs | 华北理工大学 | 2020-04-14 | — | — | CN | disclosed |