Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.41 |
| ▸ | CDK9 | P50750 | 3/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | CDK7 | P50613 | 2/20 | 0.31 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.31 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.31 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.30 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.30 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.30 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.30 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.30 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.30 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.30 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.30 |
| ▸ | CCNH | P51946 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL40556 | 0.87 | HSD17B10 (0.33) | GSK3B | |
| SCHEMBL21222 | 0.85 | CRHR1 (0.31) | — | |
| SCHEMBL42979 | 0.82 | CDK2 (0.43) | PDE10ACDK9CDK2CDK7CDK13 | |
| SCHEMBL47762 | 0.81 | CHEK1 (0.38) | CDK2DGAT1 | |
| SCHEMBL30813 | 0.78 | CRHR1 (0.31) | — | |
| SCHEMBL10209999 | 0.78 | PDE10A (0.53) | PDE10ACDK9CDK2CDK7CDK13 | |
| SCHEMBL39693 | 0.78 | PDE10A (0.50) | PDE10ACDK9CDK2CDK7CDK13 | |
| SCHEMBL10210928 | 0.77 | PDE10A (0.49) | PDE10ACDK9CDK2CDK7CDK13 | |
| SCHEMBL47770 | 0.77 | PDE10A (0.49) | PDE10ACDK9CDK2CDK7CDK13 | |
| SCHEMBL20634 | 0.74 | KDM4E (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2608669-B1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME (US) | 2016-06-22 | — | — | EP | disclosed |
| EP-2608668-B1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | MERCK SHARP & DOHME (US) | 2016-06-01 | — | — | EP | disclosed |
| WO-2012027234-A1 | FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |
| WO-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |