Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 3/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.49 |
| ▸ | EGFR | P00533 | 3/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.48 |
| ▸ | CDK9 | P50750 | 2/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30129257 | 1.00 | CDK5 (0.49) | CDK5CDK5R1EGFRCCNT1CDK9 | |
| SCHEMBL30598645 | 0.90 | BRD4 (0.41) | CDK5CDK5R1EGFRCCNT1CDK9 | |
| SCHEMBL30459024 | 0.85 | CDK5 (0.47) | CDK5CDK5R1EGFRCCNT1CDK9 | |
| SCHEMBL1612522 | 0.80 | DYRK1A (0.40) | CDK5CDK5R1EGFRBRD4DYRK1A | |
| SCHEMBL5750318 | 0.76 | CDC7 (0.60) | CDK5CDK5R1EGFRCCNT1CDK9 | |
| SCHEMBL19089318 | 0.76 | EGFR (0.55) | CDK5CDK5R1EGFRCCNT1CDK9 | |
| SCHEMBL5096322 | 0.76 | MKNK1 (0.50) | CDK5CDK5R1EGFRCCNT1CDK9 | |
| SCHEMBL29419125 | 0.76 | MKNK1 (0.50) | CDK5CDK5R1EGFRCCNT1CDK9 | |
| SCHEMBL28939744 | 0.76 | EGFR (0.52) | CDK5CDK5R1EGFRCCNT1CDK9 | |
| SCHEMBL28987594 | 0.76 | CDK5 (0.51) | CDK5CDK5R1EGFRCCNT1CDK9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113563310-B | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2022-10-11 | — | — | CN | claimed |
| CN-113563310-A | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2021-10-29 | — | — | CN | claimed |
| CN-113563310-B | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-113563310-B | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-113563310-B | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-113563310-A | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2021-10-29 | — | — | CN | disclosed |
| CN-113563310-A | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2021-10-29 | — | — | CN | disclosed |
| CN-113563310-A | 4- (1-methylindol-3-yl) pyrimidine derivative and application thereof | 浙江工业大学 | 2021-10-29 | — | — | CN | disclosed |
| EP-3205650-A1 | EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016054987-A1 | EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2016-04-14 | — | — | WO | disclosed |