Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 3/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 14/20 | 0.36 |
| ▸ | MTOR | P42345 | 12/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 2/20 | 0.33 |
| ▸ | PIK3C2A | O00443 | 1/20 | 0.33 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2303300 | 0.75 | CDK4 (0.54) | CDK4PIK3CAMTORPIK3CDPIK3CG | |
| Dimethylformamide SCHEMBL27889386 | 0.73 | ALDH1A1 (0.44) | CDK4CLK4 | |
| SCHEMBL15032362 | 0.68 | CDK4 (0.74) | CDK4 | |
| SCHEMBL24267687 | 0.62 | CDK4 (0.36) | CDK4CLK4 | |
| Dimethylformamide SCHEMBL27889347 | 0.61 | CDK4 (0.45) | CDK4AURKB | |
| SCHEMBL2300562 | 0.60 | PIK3CA (0.38) | CDK4PIK3CAMTORPIK3CDPIK3CG | |
| Dimethylformamide SCHEMBL27889384 | 0.60 | CDK4 (0.45) | CDK4AURKB | |
| SCHEMBL29987938 | 0.57 | CDK4 (0.62) | CDK4LIMK1AURKB | |
| SCHEMBL21081057 | 0.57 | CDK4 (0.62) | CDK4LIMK1AURKB | |
| Hydrochloric Acid SCHEMBL30991385 | 0.56 | CDK4 (0.61) | CDK4LIMK1AURKB |
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-2536730-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | Novartis AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |