Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.50 |
| ▸ | CCND1 | P24385 | 19/20 | 0.50 |
| ▸ | CCND2 | P30279 | 17/20 | 0.50 |
| ▸ | CCND3 | P30281 | 17/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.49 |
| ▸ | CDK1 | P06493 | 4/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.49 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.48 |
| ▸ | CDK2 | P24941 | 6/20 | 0.48 |
| ▸ | CCNE2 | O96020 | 5/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.48 |
| ▸ | PAK4 | O96013 | 1/20 | 0.45 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.45 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.45 |
| ▸ | NUAK1 | O60285 | 2/20 | 0.45 |
| ▸ | MARK3 | P27448 | 1/20 | 0.45 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.45 |
| ▸ | MARK4 | Q96L34 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3400997 | 0.89 | CCND3 (0.61) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL3344142 | 0.87 | CDK4 (0.56) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL3339292 | 0.75 | CDK4 (0.61) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL3338824 | 0.75 | CDK4 (0.71) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL4220812 | 0.74 | PIK3CA (0.56) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL5121058 | 0.74 | CDK1 (0.44) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL5263385 | 0.73 | CDK4 (0.79) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL394233 | 0.73 | PIK3CA (0.67) | — | |
| SCHEMBL394232 | 0.73 | PIK3CA (0.67) | — | |
| SCHEMBL3335976 | 0.72 | CDK4 (0.55) | CDK4CCND1CCND2CCND3CDK1 |
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-2142543-B1 | PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2013-05-22 | — | — | EP | disclosed |
| EP-2142543-A1 | PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER | Exelixis, Inc. (US) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008127678-A1 | PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER | EXELIXIS, INC. (US) | 2008-10-23 | — | — | WO | disclosed |