Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCND2 | P30279 | 1/20 | 0.40 |
| ▸ | CCND3 | P30281 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 12/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.38 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | FLT3 | P36888 | 2/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | JAK3 | P52333 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27844365 | 0.86 | CDK4 (0.46) | AURKACDK4CCND1CCND2CCND3 | |
| SCHEMBL27825344 | 0.77 | AURKA (0.44) | AURKACDK4CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL27844367 | 0.76 | CDK4 (0.41) | AURKACDK4CCND1CCND2CCND3 | |
| SCHEMBL1285162 | 0.71 | CDK4 (0.41) | AURKACDK4CCND1CCND2CCND3 | |
| SCHEMBL3713882 | 0.69 | CDK4 (0.48) | CDK4CCND1CCND2CCND3NTRK1 | |
| SCHEMBL15163281 | 0.67 | TBK1 (0.46) | CDK4CCND1CCND2CCND3NTRK1 | |
| SCHEMBL27825351 | 0.67 | TBK1 (0.42) | CDK4CCND1CCND2CCND3NTRK1 | |
| SCHEMBL3713884 | 0.66 | CDK4 (0.48) | CDK4CCND1CCND2CCND3NTRK1 | |
| SCHEMBL1285158 | 0.64 | TBK1 (0.60) | CDK2MELKSTK17A | |
| SCHEMBL1285486 | 0.63 | TBK1 (0.60) | CDK4CCND1CCND2CCND3 |
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-102341400-A | Pyrrolopyrimidines useful as kinase inhibitors | MEDICAL RES COUNCIL TECHNOLOGY | 2012-02-01 | — | — | CN | claimed |
| CN-102341400-A | Pyrrolopyrimidines useful as kinase inhibitors | MEDICAL RES COUNCIL TECHNOLOGY | 2012-02-01 | — | — | CN | disclosed |