Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 5/20 | 0.57 |
| ▸ | CCND1 | P24385 | 4/20 | 0.57 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.56 |
| ▸ | CDK2 | P24941 | 1/20 | 0.56 |
| ▸ | TTK | P33981 | 2/20 | 0.55 |
| ▸ | MAPK10 | P53779 | 6/20 | 0.53 |
| ▸ | JUN | P05412 | 5/20 | 0.53 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.53 |
| ▸ | JAK2 | O60674 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 2/20 | 0.52 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.52 |
| ▸ | YES1 | P07947 | 2/20 | 0.52 |
| ▸ | PIM1 | P11309 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.52 |
| ▸ | HIPK1 | Q86Z02 | 2/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18376599 | 1.00 | CDK4 (0.57) | CDK4CCND1CCNE1CDK2TTK | |
| SCHEMBL18377046 | 0.92 | BRD4 (0.63) | CDK4CCND1CDK2TTKMAPK10 | |
| SCHEMBL18376760 | 0.92 | TTK (0.66) | CDK4CCND1CCNE1CDK2TTK | |
| SCHEMBL18377050 | 0.92 | CDK4 (0.53) | CDK4CCND1CCNE1CDK2TTK | |
| SCHEMBL29371101 | 0.92 | CDK4 (0.53) | CDK4CCND1CCNE1CDK2TTK | |
| SCHEMBL18376647 | 0.89 | PTK2 (0.63) | CDK4TTKJAK2BRD4PTK2 | |
| SCHEMBL18376750 | 0.88 | MAPK10 (0.60) | CDK4CCND1CDK2TTKMAPK10 | |
| SCHEMBL29371294 | 0.88 | MAPK10 (0.60) | CDK4CCND1CDK2TTKMAPK10 | |
| SCHEMBL18376648 | 0.88 | FGFR2 (0.56) | CDK4TTKMAPK10JUNMAPK8 | |
| SCHEMBL18376646 | 0.88 | EGFR (0.66) | CDK4CCND1CCNE1CDK2TTK |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |