Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 5/20 | 0.42 |
| ▸ | KIT | P10721 | 4/20 | 0.42 |
| ▸ | FLT3 | P36888 | 4/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | BRS3 | P32247 | 4/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29968039 | 0.95 | KDR (0.39) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL29968299 | 0.86 | KIT (0.43) | KDRKITFLT3PLK4AURKA | |
| SCHEMBL28871293 | 0.85 | PRKAB2 (0.45) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL29967914 | 0.82 | AGTR2 (0.40) | KDRKITFLT3PLK4AURKA | |
| SCHEMBL28871303 | 0.81 | ABL1 (0.42) | KDRKITFLT3BRS3PLK4 | |
| SCHEMBL29967962 | 0.81 | ABL1 (0.42) | KDRKITFLT3BRS3PLK4 | |
| SCHEMBL28871284 | 0.80 | MRGPRX4 (0.46) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL31029250 | 0.75 | DHODH (0.39) | KDRFLT3DHODHPLK4AURKA | |
| SCHEMBL29967996 | 0.74 | ABL1 (0.38) | KDRKITFLT3PLK4AURKA | |
| SCHEMBL28871315 | 0.71 | MAPK1 (0.48) | KDRKITFLT3PLK4AURKA |
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 |