Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNK | O75909 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 17/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12849964 | 0.89 | LRRK2 (0.31) | LRRK2 | |
| SCHEMBL12466007 | 0.85 | CDK9 (0.42) | CCNKCDK9CCNT1 | |
| SCHEMBL12850005 | 0.80 | PIK3CA (0.32) | LRRK2 | |
| SCHEMBL12850319 | 0.78 | CCNT1 (0.52) | CCNKCDK9CCNT1 | |
| SCHEMBL12850332 | 0.77 | CCNT1 (0.48) | CCNKCDK9CCNT1 | |
| SCHEMBL12850336 | 0.77 | CCNT1 (0.49) | CCNT1 | |
| SCHEMBL12849838 | 0.76 | CDK2 (0.33) | — | |
| SCHEMBL12850674 | 0.75 | CCNT1 (0.46) | CCNKCDK9CCNT1 | |
| SCHEMBL12850672 | 0.75 | CCNT1 (0.46) | CCNKCDK9CCNT1 | |
| SCHEMBL12850334 | 0.75 | CCNT1 (0.60) | CCNKCDK9CCNT1 |
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 |