Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 4/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | KDR | P35968 | 8/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.40 |
| ▸ | PIM1 | P11309 | 4/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.40 |
| ▸ | LCK | P06239 | 3/20 | 0.40 |
| ▸ | RET | P07949 | 3/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.40 |
| ▸ | BLK | P51451 | 3/20 | 0.40 |
| ▸ | STK3 | Q13188 | 3/20 | 0.40 |
| ▸ | TAOK1 | Q7L7X3 | 3/20 | 0.40 |
| ▸ | HIPK4 | Q8NE63 | 3/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.40 |
| ▸ | MAP4K5 | Q9Y4K4 | 3/20 | 0.40 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12240958 | 0.81 | KDR (0.41) | KDRROCK1PIM1ROCK2MAP4K4 | |
| SCHEMBL1334392 | 0.78 | CLK4 (0.53) | PIK3CDPIK3CBPIK3CAKDRROCK1 | |
| SCHEMBL8170641 | 0.78 | CLK4 (0.37) | PIK3CDPIK3CBPIK3CAKDRROCK1 | |
| SCHEMBL25746072 | 0.78 | CLK4 (0.44) | KDRROCK1PIM1ROCK2MAP4K4 | |
| SCHEMBL3839412 | 0.78 | PIK3CD (0.44) | PIK3CDPIK3CBPIK3CAROCK1PIM1 | |
| SCHEMBL20315040 | 0.77 | HSP90AB1 (0.42) | PIK3CDPIK3CBPIK3CAROCK1PIM1 | |
| SCHEMBL12219914 | 0.75 | HTR2A (0.38) | KDRROCK1PIM1ROCK2MAP4K4 | |
| SCHEMBL30825344 | 0.74 | PIK3CD (0.44) | PIK3CDPIK3CBPIK3CAKDRROCK1 | |
| SCHEMBL27086111 | 0.74 | PIK3CD (0.44) | PIK3CDPIK3CBPIK3CAKDRROCK1 | |
| SCHEMBL29662767 | 0.71 | PIK3CD (0.46) | PIK3CDPIK3CBPIK3CAKDRROCK2 |
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-3558955-B1 | BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER | AMGEN INC (US) | 2021-08-11 | — | — | EP | disclosed |