Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK3 | O75914 | 1/20 | 0.53 |
| ▸ | PAK4 | O96013 | 1/20 | 0.53 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.53 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.53 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.53 |
| ▸ | PAK2 | Q13177 | 1/20 | 0.53 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.53 |
| ▸ | JAK2 | O60674 | 6/20 | 0.45 |
| ▸ | BRD4 | O60885 | 6/20 | 0.45 |
| ▸ | JAK1 | P23458 | 2/20 | 0.45 |
| ▸ | BRD2 | P25440 | 2/20 | 0.45 |
| ▸ | JAK3 | P52333 | 2/20 | 0.45 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.45 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.45 |
| ▸ | WEE1 | P30291 | 1/20 | 0.42 |
| ▸ | STAT6 | P42226 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 8/20 | 0.40 |
| ▸ | CCND1 | P24385 | 7/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 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 | |
|---|---|---|---|---|
| SCHEMBL15036366 | 0.94 | PAK3 (0.49) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15036317 | 0.80 | PAK3 (0.43) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15617478 | 0.75 | CDK4 (0.46) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15258235 | 0.74 | PAK3 (0.53) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15036202 | 0.74 | PAK3 (0.54) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15036437 | 0.74 | PAK3 (0.52) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15617460 | 0.74 | PAK3 (0.49) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15036426 | 0.73 | PAK3 (0.42) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15259472 | 0.73 | PAK3 (0.52) | PAK3PAK4LIMK1LIMK2PAK1 | |
| SCHEMBL15258292 | 0.73 | PAK3 (0.51) | PAK3PAK4LIMK1LIMK2PAK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680099-B2 | 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders | AFRAXIS HOLDINGS, INC. (US) | 2014-03-25 | — | — | US | disclosed |
| US-8680099-B2 | 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders | AFRAXIS HOLDINGS, INC. (US) | 2014-03-25 | — | — | US | disclosed |