Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 7/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.33 |
| ▸ | CDK2 | P24941 | 7/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 7/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | STAT1 | P42224 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30553 | 0.83 | MTOR (0.39) | CHEK1CCNA2CDK2CCNA1KDM4E | |
| SCHEMBL21503 | 0.82 | CHEK1 (0.41) | CHEK1CCNA2CDK2CCNA1TYK2 | |
| Bicarbonate SCHEMBL17836378 | 0.80 | CHEK1 (0.37) | CHEK1CCNA2CDK2CCNA1PIK3CD | |
| SCHEMBL15007369 | 0.77 | CCNC (0.34) | CHEK1CCNA2CDK2CCNA1PIK3CD | |
| SCHEMBL15031487 | 0.77 | CCNC (0.34) | CHEK1CCNA2CDK2CCNA1PIK3CD | |
| SCHEMBL31397 | 0.77 | CCNC (0.34) | CHEK1CCNA2CDK2CCNA1PIK3CD | |
| SCHEMBL26939 | 0.76 | CHEK1 (0.41) | CHEK1CCNA2CDK2CCNA1NPC1 | |
| SCHEMBL15007016 | 0.75 | CHEK1 (0.34) | CHEK1CCNA2CDK2CCNA1CCNC | |
| SCHEMBL15031491 | 0.75 | CHEK1 (0.34) | CHEK1CCNA2CDK2CCNA1CCNC | |
| SCHEMBL15007017 | 0.75 | CHEK1 (0.34) | CHEK1CCNA2CDK2CCNA1CCNC |
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-2608669-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |