Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 11/20 | 0.51 |
| ▸ | KIT | P10721 | 9/20 | 0.51 |
| ▸ | FLT3 | P36888 | 9/20 | 0.51 |
| ▸ | ABL1 | P00519 | 10/20 | 0.49 |
| ▸ | LCK | P06239 | 4/20 | 0.49 |
| ▸ | CSF1R | P07333 | 4/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.49 |
| ▸ | PRKACA | P17612 | 3/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.49 |
| ▸ | LYN | P07948 | 3/20 | 0.49 |
| ▸ | SRC | P12931 | 3/20 | 0.49 |
| ▸ | BLK | P51451 | 3/20 | 0.49 |
| ▸ | FLT1 | P17948 | 3/20 | 0.49 |
| ▸ | PLK4 | O00444 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 2/20 | 0.49 |
| ▸ | JAK2 | O60674 | 2/20 | 0.49 |
| ▸ | CDK1 | P06493 | 2/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.49 |
| ▸ | CDK2 | P24941 | 2/20 | 0.49 |
| ▸ | MARK3 | P27448 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28871298 | 1.00 | KDR (0.51) | KDRKITFLT3ABL1LCK | |
| SCHEMBL28871264 | 0.91 | KDR (0.48) | KDRKITFLT3ABL1LCK | |
| SCHEMBL29968054 | 0.91 | KDR (0.48) | KDRKITFLT3ABL1LCK | |
| SCHEMBL29968082 | 0.87 | KDR (0.63) | KDRKITFLT3ABL1LCK | |
| SCHEMBL29967868 | 0.83 | KDR (0.65) | KDRKITFLT3ABL1LCK | |
| SCHEMBL28871279 | 0.83 | KDR (0.65) | KDRKITFLT3ABL1LCK | |
| SCHEMBL29967857 | 0.82 | KDR (0.51) | KDRKITFLT3ABL1LCK | |
| SCHEMBL29968380 | 0.80 | KDR (0.48) | KDRKITFLT3ABL1LCK | |
| SCHEMBL29968328 | 0.79 | KDR (0.50) | KDRKITFLT3ABL1LCK | |
| SCHEMBL29967983 | 0.79 | KDR (0.54) | KDRKITFLT3ABL1LCK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |