Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CDK7 | P50613 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5663343 | 0.86 | PDE9A (0.47) | MKNK2PDE9APDE10A | |
| SCHEMBL29586318 | 0.84 | PDE9A (0.40) | HRH4MKNK2PDE9AHCRTR2HCRTR1 | |
| SCHEMBL5463861 | 0.83 | HRH4 (0.51) | CDK2CDK9HRH4HTR3APDE10A | |
| SCHEMBL8488195 | 0.82 | HCRTR2 (0.35) | CDK4CDK2CDK7CDK9CDK1 | |
| SCHEMBL2320138 | 0.80 | MKNK2 (0.47) | MKNK2PDE9AACACBPDE10A | |
| SCHEMBL30211008 | 0.80 | MKNK2 (0.47) | MKNK2PDE9AACACBPDE10A | |
| SCHEMBL2320140 | 0.80 | MKNK2 (0.47) | MKNK2PDE9AACACBPDE10A | |
| SCHEMBL1177572 | 0.78 | SLC6A2 (0.52) | PDE9AHTR3APDE10A | |
| SCHEMBL1177568 | 0.78 | SLC6A2 (0.52) | PDE9AHTR3APDE10A | |
| SCHEMBL22131588 | 0.77 | ACACB (0.55) | CDK4CDK2CDK7CDK9CDK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020211668-A1 | CD73 INHIBITORS | BIOARDIS LLC (US) | 2020-10-22 | — | — | WO | disclosed |
| WO-2020210938-A1 | QUINAZOLINE DERIVATIVES AS CD73 INHIBITORS | BIOARDIS LLC (US) | 2020-10-22 | — | — | WO | disclosed |
| EP-1444211-A2 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | AstraZeneca AB (SE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003040109-A2 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ASTRAZENECA AB (SE) | 2003-05-15 | — | — | WO | disclosed |