Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.46 |
| ▸ | CCND1 | P24385 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 10/20 | 0.43 |
| ▸ | BCR | P11274 | 10/20 | 0.43 |
| ▸ | KIT | P10721 | 3/20 | 0.40 |
| ▸ | FLT3 | P36888 | 3/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
| ▸ | LYN | P07948 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871242 | 1.00 | CDK4 (0.46) | CDK4CCND1ABL1BCRKIT | |
| SCHEMBL29967962 | 0.90 | ABL1 (0.42) | CDK4CCND1ABL1BCRKIT | |
| SCHEMBL28871303 | 0.90 | ABL1 (0.42) | CDK4CCND1ABL1BCRKIT | |
| SCHEMBL28871266 | 0.84 | NR1H4 (0.45) | ABL1BCRKITFLT3KDR | |
| SCHEMBL29967985 | 0.84 | NR1H4 (0.45) | ABL1BCRKITFLT3KDR | |
| SCHEMBL29967800 | 0.84 | NPC1 (0.40) | CDK4CCND1ABL1BCRKIT | |
| SCHEMBL28871297 | 0.84 | NPC1 (0.40) | CDK4CCND1ABL1BCRKIT | |
| SCHEMBL28957397 | 0.84 | NR1H4 (0.46) | ABL1BCRKITFLT3 | |
| SCHEMBL29967977 | 0.84 | NR1H4 (0.46) | ABL1BCRKITFLT3 | |
| SCHEMBL28871261 | 0.81 | ABL1 (0.43) | ABL1BCRKITFLT3KDR |
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 |