Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 13/20 | 0.67 |
| ▸ | CSF1R | P07333 | 1/20 | 0.56 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.53 |
| ▸ | BTK | Q06187 | 2/20 | 0.52 |
| ▸ | BLK | P51451 | 1/20 | 0.52 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.52 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 2/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3934251 | 0.92 | BRAF (0.64) | BRAFCSF1RIMPDH2BTKBLK | |
| SCHEMBL3936045 | 0.89 | BRAF (0.62) | BRAFCSF1RBTKBLKKCNQ3 | |
| SCHEMBL3938207 | 0.88 | BRAF (0.72) | BRAFCSF1RBTKCYP2C9LCK | |
| SCHEMBL3934757 | 0.87 | BRAF (0.62) | BRAFCSF1RBTKCYP2C9NPC1 | |
| SCHEMBL3934373 | 0.86 | BRAF (0.71) | BRAFCSF1RBTKCYP2C9NPC1 | |
| SCHEMBL3934779 | 0.84 | BRAF (0.77) | BRAFCSF1RBTKBLKCYP2C9 | |
| SCHEMBL3933731 | 0.83 | BRAF (0.65) | BRAFBTKBLKCYP2C9LCK | |
| SCHEMBL3942246 | 0.82 | BRAF (0.57) | BRAFCSF1RBTKCYP2C9NPC1 | |
| SCHEMBL3943854 | 0.81 | BRAF (0.55) | BRAFCSF1RBTKBLKNPC1 | |
| SCHEMBL3944066 | 0.81 | BRAF (0.63) | BRAFCSF1RBTKCYP2C9LCK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |