Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29080046 | 0.83 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL30229937 | 0.82 | RORC (0.42) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL7416797 | 0.80 | NPC1 (0.48) | SMN1; SMN2NPC1RAB9APDK1PDK2 | |
| SCHEMBL837936 | 0.77 | NAMPT (0.49) | RORC | |
| SCHEMBL5723900 | 0.76 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL16569499 | 0.76 | SMYD2 (0.42) | SMN1; SMN2HTTCYP3A4 | |
| SCHEMBL7474362 | 0.75 | NPC1 (0.39) | NPC1RAB9A | |
| SCHEMBL7474365 | 0.75 | NPC1 (0.39) | NPC1RAB9A | |
| SCHEMBL29680617 | 0.74 | NAMPT (0.37) | SMN1; SMN2RORC | |
| SCHEMBL31299244 | 0.74 | NAMPT (0.37) | SMN1; SMN2RORC |
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-4262807-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-10-25 | — | — | EP | disclosed |
| CN-116829151-A | Azaquinazoline pan KRAS inhibitors | 米拉蒂治疗股份有限公司 | 2023-09-29 | — | — | CN | disclosed |
| WO-2022132200-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-06-23 | — | — | WO | disclosed |