Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 6/20 | 0.77 |
| ▸ | AURKA | O14965 | 4/20 | 0.65 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.65 |
| ▸ | FLT3 | P36888 | 1/20 | 0.62 |
| ▸ | BTK | Q06187 | 1/20 | 0.62 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.61 |
| ▸ | CDK2 | P24941 | 2/20 | 0.59 |
| ▸ | JAK1 | P23458 | 1/20 | 0.58 |
| ▸ | MAP3K7 | O43318 | 3/20 | 0.57 |
| ▸ | EGFR | P00533 | 2/20 | 0.57 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.57 |
| ▸ | SRC | P12931 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.57 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.56 |
| ▸ | CDK9 | P50750 | 1/20 | 0.56 |
| ▸ | SYK | P43405 | 1/20 | 0.56 |
| ▸ | LCK | P06239 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL31684795 | 1.00 | BRD4 (0.77) | BRD4AURKAAURKBFLT3BTK | |
| SCHEMBL28981000 | 0.89 | BRD4 (0.66) | BRD4FLT3BTKALKMAP3K7 | |
| SCHEMBL31684797 | 0.89 | BRD4 (0.66) | BRD4FLT3BTKALKMAP3K7 | |
| SCHEMBL17526046 | 0.87 | BRD4 (1.00) | BRD4AURKAAURKBFLT3BTK | |
| SCHEMBL28980979 | 0.87 | MAP3K7 (0.70) | BRD4AURKAAURKBFLT3BTK | |
| SCHEMBL31260251 | 0.87 | MAP3K7 (0.70) | BRD4AURKAAURKBFLT3BTK | |
| SCHEMBL28980969 | 0.82 | BRD4 (0.64) | BRD4FLT3BTKALKMAP3K7 | |
| SCHEMBL28876170 | 0.82 | BRD4 (0.72) | BRD4FLT3BTKCDK2EGFR | |
| SCHEMBL31684801 | 0.82 | BRD4 (0.64) | BRD4FLT3BTKALKMAP3K7 | |
| SCHEMBL29463626 | 0.82 | BRD4 (0.72) | BRD4FLT3BTKCDK2EGFR |
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-115894381-A | 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof | 温州医科大学 | 2023-04-04 | — | — | CN | claimed |
| CN-115894381-A | 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof | 温州医科大学 | 2023-04-04 | — | — | CN | disclosed |