Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.62 |
| ▸ | AURKA | O14965 | 2/20 | 0.62 |
| ▸ | PRKACA | P17612 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.62 |
| ▸ | CDK2 | P24941 | 4/20 | 0.62 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.62 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.62 |
| ▸ | CDK9 | P50750 | 3/20 | 0.62 |
| ▸ | KMO | O15229 | 2/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.56 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.54 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.51 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.51 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | CHUK | O15111 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2349687 | 0.83 | KMO (0.63) | CDK2CCNT1CCNA2CDK9KMO | |
| SCHEMBL4708076 | 0.82 | HSP90AA1 (0.67) | HSP90AA1AURKAPRKACAADORA2ACDK2 | |
| SCHEMBL5739331 | 0.81 | KMO (0.50) | HSP90AA1AURKAPRKACAADORA2ACDK2 | |
| SCHEMBL4202167 | 0.81 | HSP90AA1 (0.76) | HSP90AA1AURKAPRKACAADORA2ACDK2 | |
| SCHEMBL2349505 | 0.81 | KMO (0.60) | PRKACACDK2CCNT1CCNA2CDK9 | |
| SCHEMBL28547944 | 0.79 | KMO (0.63) | HSP90AA1AURKAPRKACAADORA2AKMO | |
| SCHEMBL6764764 | 0.79 | HSP90AA1 (0.62) | HSP90AA1AURKAPRKACAADORA2ACDK2 | |
| SCHEMBL2406279 | 0.79 | KMO (0.59) | KMOMEN1KMT2AKDM4EMAPT | |
| SCHEMBL481304 | 0.79 | PRKACA (0.62) | HSP90AA1AURKAPRKACAADORA2ACDK2 | |
| SCHEMBL2986205 | 0.79 | CDK2 (0.67) | PRKACACDK2CCNT1CCNA2CDK9 |
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-1828185-A2 | 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006068826-A2 | 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-06-29 | — | — | WO | disclosed |