Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.43 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.42 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PAK4 | O96013 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 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 | |
|---|---|---|---|---|
| SCHEMBL1192602 | 0.95 | APP (0.47) | APPCLK4AURKARPS6KB1CCNE2 | |
| SCHEMBL1192074 | 0.88 | APP (0.52) | APPCLK4AURKARPS6KB1CCNE2 | |
| SCHEMBL1224639 | 0.88 | AURKA (0.43) | APPCLK4AURKARPS6KB1CCNE2 | |
| SCHEMBL1192095 | 0.75 | CCNE2 (0.47) | APPCLK4AURKARPS6KB1CCNE2 | |
| SCHEMBL1191456 | 0.75 | APP (0.50) | APPCLK4AURKARPS6KB1CCNE2 | |
| SCHEMBL22792188 | 0.71 | BRAF (0.53) | CLK4PDGFRBDYRK1AADORA2AADORA2B | |
| SCHEMBL16041322 | 0.70 | APP (0.50) | APPCLK4AURKARPS6KB1CCNE2 | |
| SCHEMBL27871448 | 0.69 | CLK4 (0.51) | APPCLK4AURKARPS6KB1CCNE2 | |
| SCHEMBL1192389 | 0.68 | CCNT1 (0.58) | — | |
| SCHEMBL1225589 | 0.67 | APP (0.47) | APPCLK4AURKARPS6KB1CCNE2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2668162-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | Novartis AG (CH) | 2013-12-04 | — | — | EP | disclosed |
| WO-2012101065-A2 | PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101062-A1 | SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |