Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 6/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.43 |
| ▸ | CDK1 | P06493 | 5/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.43 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.40 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 3/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13446059 | 0.95 | AURKA (0.42) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8305526 | 0.94 | HTR4 (0.44) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12582671 | 0.91 | AURKA (0.47) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12252946 | 0.90 | AURKA (0.44) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12582585 | 0.90 | AURKA (0.45) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL13545033 | 0.90 | AURKA (0.43) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL8305603 | 0.90 | AURKA (0.43) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12303277 | 0.90 | AURKA (0.43) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12252754 | 0.89 | AURKA (0.48) | AURKAAURKBCDK1CCNB1CDK2 | |
| SCHEMBL12772132 | 0.89 | AURKA (0.43) | AURKAAURKBCDK1CCNB1CDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8435970-B2 | Title compound is drug AT-9283, inhibitor of Cyclin Dependent Kinases (CDK kinases), Aurora kinases and Glycogen Synthase Kinase-3 (GSK3) | ASTEX THERAPEUTICS LIMITED (GB) | 2013-05-07 | — | — | US | disclosed |