Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 12/20 | 0.34 |
| ▸ | AKT2 | P31751 | 12/20 | 0.34 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.34 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24271449 | 1.00 | AKT1 (0.34) | AKT1AKT2IRAK1PRKCQUSP7 | |
| SCHEMBL25272086 | 0.95 | PPARG (0.37) | AKT1AKT2IRAK1PPARG | |
| SCHEMBL25278070 | 0.81 | CYP1A2 (0.40) | AKT1AKT2CYP3A4CYP2D6 | |
| SCHEMBL25227024 | 0.80 | AKT1 (0.39) | AKT1AKT2CYP3A4CYP2D6CDK2 | |
| SCHEMBL29536669 | 0.80 | AKT1 (0.39) | AKT1AKT2CYP3A4CYP2D6CDK2 | |
| SCHEMBL4076223 | 0.79 | PPARG (0.43) | PPARG | |
| SCHEMBL29536658 | 0.79 | AKT1 (0.39) | AKT1AKT2PRKD3MAP4K4CDK1 | |
| SCHEMBL25271560 | 0.79 | AKT1 (0.39) | AKT1AKT2PRKD3MAP4K4CDK1 | |
| SCHEMBL29537498 | 0.78 | AKT1 (0.34) | AKT1AKT2CSNK2A1 | |
| SCHEMBL25271264 | 0.78 | AKT1 (0.34) | AKT1AKT2CSNK2A1 |
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-4211119-A1 | 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | Merck Sharp & Dohme LLC (US) | 2023-07-19 | — | — | EP | disclosed |
| WO-2022051337-A1 | 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2022-03-10 | — | — | WO | disclosed |