Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 18/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 13/20 | 0.42 |
| ▸ | CCNK | O75909 | 4/20 | 0.42 |
| ▸ | CDK2 | P24941 | 4/20 | 0.42 |
| ▸ | CDK14 | O94921 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
| ▸ | CDK16 | Q00536 | 2/20 | 0.42 |
| ▸ | CDK17 | Q00537 | 1/20 | 0.42 |
| ▸ | CDK18 | Q07002 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | CCNH | P51946 | 1/20 | 0.37 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | CCNY | Q8ND76 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12466007 | 0.88 | CDK9 (0.42) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL12850003 | 0.88 | CDK9 (0.34) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL6119613 | 0.82 | CCNT1 (0.56) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL6119600 | 0.82 | CCNT1 (0.56) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL12850281 | 0.82 | CCNT1 (0.55) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL12465753 | 0.78 | CDK9 (0.34) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL15378038 | 0.78 | CCNT1 (0.55) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL15378039 | 0.78 | CCNT1 (0.55) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL12466075 | 0.78 | CDK9 (0.34) | CDK9CCNT1CCNKCDK2CDK14 | |
| SCHEMBL12465817 | 0.77 | CDK9 (0.68) | CDK9CCNT1CCNKCDK2CDK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012101062-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |