Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 15/20 | 0.42 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.40 |
| ▸ | ATRIP | Q8WXE1 | 14/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 13/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 13/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 13/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20798047 | 0.83 | ATR (0.46) | ATRPIK3C3ATRIPPDCD1CD274 | |
| SCHEMBL27815281 | 0.78 | ATR (0.40) | ATRPIK3C3ATRIPPDCD1CD274 | |
| SCHEMBL27791257 | 0.78 | ATR (0.40) | ATRPIK3C3ATRIPPDCD1CD274 | |
| SCHEMBL27765251 | 0.78 | PIK3CA (0.40) | ATRPIK3C3ATRIPPDCD1CD274 | |
| SCHEMBL28784779 | 0.77 | ATR (0.44) | ATRATRIPPDCD1CD274CHEK1 | |
| SCHEMBL3983471 | 0.77 | PDCD1 (0.46) | ATRATRIPPDCD1CD274CHEK1 | |
| SCHEMBL3601081 | 0.77 | ATR (0.43) | ATRPIK3C3ATRIPPDCD1CD274 | |
| SCHEMBL20757544 | 0.76 | ATR (0.40) | ATRPIK3C3ATRIPPDCD1CD274 | |
| SCHEMBL2369766 | 0.75 | PDCD1 (0.49) | ATRPIK3C3ATRIPPDCD1CD274 | |
| SCHEMBL2369761 | 0.75 | PDCD1 (0.49) | ATRPIK3C3ATRIPPDCD1CD274 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101801962-A | Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases | ASTRAZENECA AB | 2010-08-11 | — | — | CN | disclosed |
| CN-101801963-A | Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases | ASTRAZENECA AB | 2010-08-11 | — | — | CN | disclosed |
| CN-101796048-A | Trisubstituted pyrimidine derivatives for the treatment of proliferative disorders | ASTRAZENECA AB | 2010-08-04 | — | — | CN | disclosed |
| CN-101558046-A | Morpholino pyrimidine derivatives for the treatment of proliferative disorders | ASTRAZENECA AB (SE) | 2009-10-14 | — | — | CN | disclosed |
| CN-101541781-A | Morpholino pyrimidine derivatives for the treatment of proliferative diseases | ASTRAZENECA AB (SE) | 2009-09-23 | — | — | CN | disclosed |