Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.56 |
| ▸ | CDK2AP1 | O14519 | 7/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | PBK | Q96KB5 | 2/20 | 0.52 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7673369 | 1.00 | CHEK1 (0.56) | CHEK1CDK2AP1KDM4EALDH1A1PARP1 | |
| SCHEMBL13161898 | 0.84 | ALDH1A1 (0.61) | KDM4EALDH1A1CRBN | |
| SCHEMBL22720116 | 0.84 | ALDH1A1 (0.66) | KDM4EALDH1A1CRBN | |
| SCHEMBL5654175 | 0.83 | CHEK1 (0.60) | CHEK1CDK2AP1PARP1PBK | |
| SCHEMBL1674869 | 0.83 | NPC1 (0.69) | CHEK1CDK2AP1PARP1PBK | |
| SCHEMBL1278937 | 0.83 | NPC1 (0.69) | CHEK1CDK2AP1PARP1PBK | |
| SCHEMBL31227213 | 0.83 | CHEK1 (0.60) | CHEK1CDK2AP1PARP1PBK | |
| SCHEMBL1278935 | 0.83 | NPC1 (0.69) | CHEK1CDK2AP1PARP1PBK | |
| SCHEMBL11056410 | 0.82 | ALDH1A1 (0.56) | CHEK1KDM4EALDH1A1PARP1CRBN | |
| SCHEMBL2154833 | 0.82 | ALDH1A1 (0.69) | KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023040537-A1 | AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 沈阳药科大学 | 2023-03-23 | — | — | WO | claimed |
| CN-114105887-A | Aminopyrimidine derivative and preparation method and application thereof | 沈阳药科大学 | 2022-03-01 | — | — | CN | claimed |
| CN-114105887-B | Aminopyrimidine derivative and preparation method and application thereof | 沈阳药科大学 | 2023-12-01 | — | — | CN | disclosed |
| WO-2023040537-A1 | AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 沈阳药科大学 | 2023-03-23 | — | — | WO | disclosed |
| CN-114105887-A | Aminopyrimidine derivative and preparation method and application thereof | 沈阳药科大学 | 2022-03-01 | — | — | CN | disclosed |