Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 8/20 | 0.55 |
| ▸ | CDK7 | P50613 | 4/20 | 0.51 |
| ▸ | ITK | Q08881 | 11/20 | 0.42 |
| ▸ | BTK | Q06187 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27688740 | 0.89 | CHEK1 (0.43) | CHEK1CDK7ITKBTKKDR | |
| SCHEMBL5054032 | 0.86 | CHEK1 (0.57) | CHEK1CDK7ITKBTK | |
| SCHEMBL5054096 | 0.85 | CHEK1 (0.70) | CHEK1CDK7ITKBTK | |
| SCHEMBL27708447 | 0.85 | CHEK1 (0.59) | CHEK1CDK7ITKBTK | |
| SCHEMBL27688759 | 0.83 | CHEK1 (0.76) | CHEK1CDK7 | |
| SCHEMBL28770038 | 0.79 | ITK (0.45) | ITKBTKKDR | |
| SCHEMBL27688764 | 0.78 | ITK (0.44) | ITKBTKKDR | |
| SCHEMBL27688839 | 0.78 | ITK (0.41) | ITKBTKKDR | |
| SCHEMBL27708452 | 0.78 | ITK (0.41) | ITKBTKKDR | |
| SCHEMBL5054031 | 0.74 | CHEK1 (0.44) | CHEK1CDK7ITK |
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 |
|---|---|---|---|---|---|---|---|
| CN-101115724-A | Inhibitors of checkpoint kinases | MERCK & CO INC (US) | 2008-01-30 | — | — | CN | claimed |
| CN-101115724-A | Inhibitors of checkpoint kinases | MERCK & CO INC (US) | 2008-01-30 | — | — | CN | disclosed |