Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.45 |
| ▸ | STK17B | O94768 | 1/20 | 0.44 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | MARK3 | P27448 | 1/20 | 0.43 |
| ▸ | MARK4 | Q96L34 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CDK1 | P06493 | 11/20 | 0.41 |
| ▸ | KDR | P35968 | 9/20 | 0.41 |
| ▸ | CDK2 | P24941 | 10/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CDK7 | P50613 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3865639 | 0.91 | TBK1 (0.54) | STK17ATBK1AURKAMARK3MARK4 | |
| SCHEMBL3865685 | 0.90 | CHEK1 (0.48) | CHEK1NTRK2STK17BSTK17ATBK1 | |
| SCHEMBL13897608 | 0.89 | STK17B (0.47) | CHEK1NTRK2STK17BSTK17ATBK1 | |
| SCHEMBL13901411 | 0.89 | SYK (0.37) | CHEK1NTRK2STK17AAURKACDK2 | |
| SCHEMBL13648566 | 0.87 | CHEK1 (0.48) | CHEK1NTRK2STK17BSTK17ATBK1 | |
| SCHEMBL13897715 | 0.87 | TBK1 (0.47) | CHEK1NTRK2STK17BSTK17ATBK1 | |
| SCHEMBL13897646 | 0.87 | STK17B (0.42) | CHEK1NTRK2STK17BSTK17ATBK1 | |
| SCHEMBL13897812 | 0.86 | GSK3B (0.58) | CHEK1NTRK2STK17BSTK17ATBK1 | |
| SCHEMBL13897823 | 0.86 | STK17B (0.42) | STK17BSTK17ATBK1AURKAMARK3 | |
| SCHEMBL6542486 | 0.85 | IGF1R (0.52) | CHEK1NTRK2STK17BSTK17ATBK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7504410-B2 | Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |
| US-7504410-B2 | Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2009-03-17 | — | — | US | disclosed |