Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 3/20 | 0.76 |
| ▸ | FLT3 | P36888 | 1/20 | 0.61 |
| ▸ | BTK | Q06187 | 1/20 | 0.61 |
| ▸ | AURKA | O14965 | 1/20 | 0.61 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.61 |
| ▸ | BRD4 | O60885 | 2/20 | 0.60 |
| ▸ | JAK2 | O60674 | 1/20 | 0.59 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | PKMYT1 | Q99640 | 2/20 | 0.55 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.54 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.54 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
| ▸ | CDK9 | P50750 | 1/20 | 0.54 |
| ▸ | STAT6 | P42226 | 4/20 | 0.54 |
| ▸ | IGF1R | P08069 | 1/20 | 0.53 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29390150 | 1.00 | SYK (0.76) | SYKFLT3BTKAURKAAURKB | |
| SCHEMBL29389394 | 0.91 | SYK (0.61) | SYKFLT3BTKAURKAAURKB | |
| SCHEMBL28705131 | 0.91 | SYK (0.61) | SYKFLT3BTKAURKAAURKB | |
| SCHEMBL28691450 | 0.91 | SYK (0.70) | SYKFLT3BTKAURKAAURKB | |
| SCHEMBL29389624 | 0.91 | SYK (0.70) | SYKFLT3BTKAURKAAURKB | |
| SCHEMBL29390384 | 0.90 | BRD4 (0.73) | SYKFLT3BTKBRD4ALK | |
| SCHEMBL28711724 | 0.90 | BRD4 (0.73) | SYKFLT3BTKBRD4ALK | |
| SCHEMBL26619859 | 0.89 | BRD4 (0.59) | SYKFLT3BTKAURKABRD4 | |
| SCHEMBL28705082 | 0.87 | BRD4 (0.60) | SYKFLT3BTKAURKAAURKB | |
| SCHEMBL29389567 | 0.87 | BRD4 (0.60) | SYKFLT3BTKAURKAAURKB |
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-114031559-A | Aryl nitrogen-containing heterocycle modified 5-fluoro-pyrimidinediamine benzoate and preparation method and application thereof | 南通大学 | 2022-02-11 | — | — | CN | claimed |
| CN-114230524-A | (5-fluoro-2-anilinopyrimidin-4-yl) amino-N-hydroxybenzamide derivative and preparation method and application thereof | 南通大学 | 2022-03-25 | — | — | CN | disclosed |
| CN-114031559-A | Aryl nitrogen-containing heterocycle modified 5-fluoro-pyrimidinediamine benzoate and preparation method and application thereof | 南通大学 | 2022-02-11 | — | — | CN | disclosed |