Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 4/20 | 0.54 |
| ▸ | CCND3 | P30281 | 2/20 | 0.52 |
| ▸ | CCNK | O75909 | 1/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | CDK9 | P50750 | 1/20 | 0.52 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | SYK | P43405 | 5/20 | 0.48 |
| ▸ | BRD4 | O60885 | 4/20 | 0.47 |
| ▸ | BTK | Q06187 | 2/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 0.47 |
| ▸ | CCND2 | P30279 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30670379 | 1.00 | ALK (0.54) | ALKCCND3CCNKCCNA2CDK2 | |
| SCHEMBL30670362 | 0.93 | ALK (0.49) | ALKCCND3CCNKCCNA2CDK2 | |
| SCHEMBL26619881 | 0.93 | ALK (0.49) | ALKCCND3CCNKCCNA2CDK2 | |
| SCHEMBL26619801 | 0.91 | ALK (0.47) | ALKCCND3CCNKCCNA2CDK2 | |
| SCHEMBL30670360 | 0.91 | ALK (0.47) | ALKCCND3CCNKCCNA2CDK2 | |
| SCHEMBL26619865 | 0.89 | ALK (0.59) | ALKCDK2CDK9EGFRSYK | |
| SCHEMBL26620627 | 0.89 | ALK (0.59) | ALKCDK2CDK9EGFRSYK | |
| SCHEMBL26619908 | 0.89 | EGFR (0.49) | ALKCDK2CDK9EGFRSYK | |
| SCHEMBL30670358 | 0.89 | EGFR (0.49) | ALKCDK2CDK9EGFRSYK | |
| SCHEMBL26619800 | 0.88 | EGFR (0.48) | ALKCDK2CDK9EGFRSYK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023213211-A9 | 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF | 长沙晶易医药科技股份有限公司 | 2024-03-21 | — | — | WO | disclosed |
| WO-2023213211-A1 | 2,4-DISUBSTITUTED-5-FLUOROPYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF | 长沙晶易医药科技股份有限公司 | 2023-11-09 | — | — | WO | disclosed |
| CN-116514779-A | 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof | 中南大学 | 2023-08-01 | — | — | CN | disclosed |