Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 8/20 | 0.59 |
| ▸ | CDK2 | P24941 | 7/20 | 0.59 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.59 |
| ▸ | CCNA1 | P78396 | 6/20 | 0.59 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 7/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.33 |
| ▸ | CDK7 | P50613 | 3/20 | 0.33 |
| ▸ | CCNH | P51946 | 2/20 | 0.33 |
| ▸ | CDK4 | P11802 | 2/20 | 0.33 |
| ▸ | CCND1 | P24385 | 2/20 | 0.33 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL7846641 | 0.88 | CHEK1 (0.68) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL584858 | 0.86 | CHEK1 (0.59) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL30758 | 0.81 | CHEK1 (0.60) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL583804 | 0.81 | CHEK1 (0.56) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL19127 | 0.80 | PDE10A (0.41) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL583997 | 0.77 | CHEK1 (0.55) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL1075532 | 0.77 | CDK2 (0.55) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL594923 | 0.76 | CHEK1 (0.60) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL593655 | 0.76 | CDK2 (0.54) | CHEK1CDK2CCNA2CCNA1PDE10A | |
| SCHEMBL21498 | 0.75 | CDK2 (0.53) | CHEK1CDK2CCNA2CCNA1PDE10A |
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 3 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-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |