Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 15/20 | 0.44 |
| ▸ | FLT3 | P36888 | 10/20 | 0.44 |
| ▸ | PLK4 | O00444 | 4/20 | 0.44 |
| ▸ | AURKA | O14965 | 4/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.44 |
| ▸ | PRKACA | P17612 | 4/20 | 0.44 |
| ▸ | FLT1 | P17948 | 4/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.44 |
| ▸ | MARK3 | P27448 | 4/20 | 0.44 |
| ▸ | FLT4 | P35916 | 4/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 4/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.44 |
| ▸ | STK3 | Q13188 | 4/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.44 |
| ▸ | NTRK2 | Q16620 | 4/20 | 0.44 |
| ▸ | MARK2 | Q7KZI7 | 4/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.44 |
| ▸ | SGK2 | Q9HBY8 | 4/20 | 0.44 |
| ▸ | CSF1R | P07333 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29967563 | 0.93 | KDR (0.48) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29967761 | 0.84 | KDR (0.45) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29968380 | 0.83 | KDR (0.48) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29967831 | 0.82 | KDR (0.47) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29968240 | 0.80 | KDR (0.51) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29967863 | 0.80 | KDR (0.43) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29967777 | 0.80 | KDR (0.43) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29968963 | 0.80 | KDR (0.44) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29968082 | 0.80 | KDR (0.63) | KDRFLT3PLK4AURKAROCK2 | |
| SCHEMBL29968386 | 0.78 | KDM4E (0.44) | KDRFLT3PLK4AURKAROCK2 |
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 |