Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | CASP6 | P55212 | 2/20 | 0.37 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.37 |
| ▸ | CASP2 | P42575 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | BLK | P51451 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11281478 | 0.70 | MAPT (0.42) | GSK3BCASP3LMNAGAAMAPT | |
| SCHEMBL4264647 | 0.67 | DRD2 (0.36) | — | |
| SCHEMBL21296775 | 0.62 | GSK3B (0.52) | GSK3BCASP3CASP7CASP6CASP8 | |
| SCHEMBL555451 | 0.62 | GSK3B (0.52) | GSK3BCASP3CASP7CASP6CASP8 | |
| SCHEMBL7980321 | 0.59 | MAPT (0.56) | GSK3BCASP3CASP7CASP6CASP8 | |
| SCHEMBL3541281 | 0.59 | GSK3B (0.48) | GSK3BCASP3CASP7CASP6CASP8 | |
| Phthalimide SCHEMBL11040503 | 0.58 | GSK3B (1.00) | GSK3BCASP3CASP7CASP6CASP8 | |
| Phthalimide SCHEMBL29366030 | 0.58 | GSK3B (1.00) | GSK3BCASP3CASP7CASP6CASP8 | |
| Phthalimide SCHEMBL64 | 0.58 | GSK3B (1.00) | GSK3BCASP3CASP7CASP6CASP8 | |
| Phthalimide SCHEMBL30125197 | 0.58 | GSK3B (1.00) | GSK3BCASP3CASP7CASP6CASP8 |
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-3440084-A1 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS | Dana-Farber Cancer Institute, Inc. (US) | 2019-02-13 | — | — | EP | disclosed |
| WO-2017177092-A1 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-10-12 | — | — | WO | disclosed |