Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 14/20 | 0.71 |
| ▸ | ABL1 | P00519 | 7/20 | 0.71 |
| ▸ | LCK | P06239 | 4/20 | 0.71 |
| ▸ | CSF1R | P07333 | 4/20 | 0.71 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.71 |
| ▸ | PRKACA | P17612 | 3/20 | 0.71 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.71 |
| ▸ | FLT1 | P17948 | 3/20 | 0.71 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.71 |
| ▸ | MET | P08581 | 2/20 | 0.71 |
| ▸ | GSK3A | P49840 | 2/20 | 0.71 |
| ▸ | GSK3B | P49841 | 2/20 | 0.71 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.71 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.71 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.71 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.71 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.71 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.71 |
| ▸ | PAK4 | O96013 | 1/20 | 0.71 |
| ▸ | RET | P07949 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL16681039 | 1.00 | KDR (0.71) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL6013181 | 0.87 | KDR (0.90) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL29968383 | 0.85 | KDR (0.70) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL28957310 | 0.85 | KDR (0.70) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL31060697 | 0.83 | KDR (1.00) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL421242 | 0.83 | KDR (1.00) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL28871225 | 0.82 | KDR (0.74) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL29967675 | 0.82 | KDR (0.74) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL1383263 | 0.82 | KDR (0.69) | KDRABL1LCKCSF1RFGFR1 | |
| SCHEMBL10213956 | 0.81 | KDR (0.73) | KDRABL1LCKCSF1RFGFR1 |
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 |