Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 14/20 | 0.40 |
| ▸ | AURKA | O14965 | 11/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | BCR | P11274 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28749761 | 0.90 | AURKB (0.38) | AURKBAURKAEGFRADORA3ADORA2A | |
| SCHEMBL27577284 | 0.85 | AURKB (0.37) | AURKBAURKAEGFRADORA3ADORA2A | |
| SCHEMBL27595401 | 0.84 | ADORA3 (0.50) | AURKBAURKAEGFRADORA3ADORA2A | |
| SCHEMBL2201749 | 0.79 | AURKB (0.64) | AURKBAURKASRCGSK3BABL1 | |
| SCHEMBL27595397 | 0.77 | EGFR (0.54) | AURKBAURKAEGFRSRCGSK3B | |
| SCHEMBL28021626 | 0.75 | ATM (0.46) | AURKBAURKANPC1RAB9ASRC | |
| SCHEMBL27598876 | 0.73 | PARP1 (0.33) | RAB9APOLBMEN1KMT2A | |
| SCHEMBL28749235 | 0.73 | ADORA3 (0.47) | AURKBAURKAEGFRADORA3ADORA2A | |
| SCHEMBL27598878 | 0.72 | ADORA1 (0.50) | AURKBAURKAADORA3ADORA2AADORA1 | |
| SCHEMBL27577291 | 0.71 | AURKA (0.34) | AURKBAURKAEGFR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102250071-A | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA | 2011-11-23 | — | — | CN | claimed |
| CN-1486310-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | claimed |
| CN-102250071-A | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA | 2011-11-23 | — | — | CN | disclosed |
| CN-100436452-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORP (US) | 2008-11-26 | — | — | CN | disclosed |
| CN-100408573-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA (US) | 2008-08-06 | — | — | CN | disclosed |
| CN-100406454-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA (US) | 2008-07-30 | — | — | CN | disclosed |
| CN-100340555-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMA (US) | 2007-10-03 | — | — | CN | disclosed |
| CN-1549812-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-11-24 | — | — | CN | disclosed |
| CN-1487933-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-04-07 | — | — | CN | disclosed |
| CN-1486312-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | disclosed |
| CN-1486311-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | disclosed |
| CN-1486310-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-03-31 | — | — | CN | disclosed |