Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 7/20 | 0.41 |
| ▸ | AURKA | O14965 | 3/20 | 0.41 |
| ▸ | FYN | P06241 | 3/20 | 0.41 |
| ▸ | GRK2 | P25098 | 2/20 | 0.41 |
| ▸ | PLK4 | O00444 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | RET | P07949 | 2/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.41 |
| ▸ | MARK3 | P27448 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4821015 | 0.91 | PARP1 (0.45) | PARP1PARP2CHEK2AURKAFYN | |
| SCHEMBL4772577 | 0.86 | PARP1 (0.46) | PARP1PARP2CHEK2AURKAFYN | |
| SCHEMBL4780114 | 0.86 | PARP1 (0.46) | PARP1PARP2CHEK2AURKAFYN | |
| SCHEMBL4773016 | 0.83 | PARP1 (0.47) | PARP1PARP2CHEK2AURKAFYN | |
| SCHEMBL4810799 | 0.83 | PARP1 (0.44) | PARP1PARP2CHEK2AURKAFYN | |
| Acetic Acid SCHEMBL4773115 | 0.83 | PARP1 (0.45) | PARP1PARP2CHEK2AURKAFYN | |
| Hydrochloric Acid SCHEMBL6105009 | 0.83 | PARP1 (0.44) | PARP1PARP2CHEK2AURKAFYN | |
| SCHEMBL4777267 | 0.81 | PARP1 (0.44) | PARP1PARP2KDRMAPK3KDM4E | |
| SCHEMBL4779798 | 0.81 | IMPDH2 (0.47) | PARP1PARP2CHEK2AURKAFYN | |
| SCHEMBL4774689 | 0.81 | IMPDH2 (0.47) | PARP1PARP2CHEK2AURKAFYN |
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 |
|---|---|---|---|---|---|---|---|
| EP-1947102-A1 | Compositions comprising diazepinoindole derivatives as kinase inhibitors | Pfizer, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| US-6967198-B2 | Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy | AGOURON PHARMACEUTICALS INC. (US) | 2005-11-22 | — | — | US | disclosed |