Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 8/20 | 0.53 |
| ▸ | JAK3 | P52333 | 4/20 | 0.53 |
| ▸ | JAK1 | P23458 | 2/20 | 0.53 |
| ▸ | BRD4 | O60885 | 3/20 | 0.52 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.49 |
| ▸ | TTK | P33981 | 2/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.48 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.48 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 2/20 | 0.46 |
| ▸ | CCND1 | P24385 | 2/20 | 0.46 |
| ▸ | CCND2 | P30279 | 2/20 | 0.46 |
| ▸ | CCND3 | P30281 | 2/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.46 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29372248 | 1.00 | JAK2 (0.53) | JAK2JAK3JAK1BRD4ALK | |
| SCHEMBL18376725 | 0.90 | JAK2 (0.55) | JAK2JAK3JAK1BRD4TTK | |
| SCHEMBL29371281 | 0.90 | JAK2 (0.55) | JAK2JAK3JAK1BRD4TTK | |
| SCHEMBL18377038 | 0.88 | JAK2 (0.48) | JAK2JAK3JAK1BRD4ALK | |
| SCHEMBL18376743 | 0.88 | JAK2 (0.48) | JAK2JAK3JAK1BRD4TTK | |
| SCHEMBL18376246 | 0.88 | JAK2 (0.56) | JAK2JAK3JAK1BRD4TTK | |
| SCHEMBL29371334 | 0.88 | JAK2 (0.56) | JAK2JAK3JAK1BRD4TTK | |
| SCHEMBL18376742 | 0.87 | JAK2 (0.53) | JAK2JAK3JAK1BRD4TTK | |
| SCHEMBL29368360 | 0.87 | JAK2 (0.53) | JAK2JAK3JAK1BRD4TTK | |
| SCHEMBL18377039 | 0.86 | JAK2 (0.52) | JAK2JAK3JAK1BRD4TTK |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113999180-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2022-02-01 | — | — | CN | claimed |
| CN-106316965-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2017-01-11 | — | — | CN | claimed |
| CN-113999180-B | Quinazoline compound, intermediate, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-113999180-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-106316965-B | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2021-08-27 | — | — | CN | disclosed |
| WO-2017005137-A1 | QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF | 吉林大学 | 2017-01-12 | — | — | WO | disclosed |
| CN-106316965-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2017-01-11 | — | — | CN | disclosed |