Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20334577 | 0.80 | CYP2D6 (0.39) | CYP2D6CACNA1BMEN1KMT2A | |
| SCHEMBL20314942 | 0.76 | CYP2D6 (0.37) | CYP2D6CACNA1BMEN1KMT2A | |
| SCHEMBL31158094 | 0.72 | CYP2D6 (0.51) | CYP2D6CACNA1BMEN1KMT2A | |
| SCHEMBL20334556 | 0.68 | CYP2D6 (0.48) | CYP2D6CACNA1BMEN1KMT2A | |
| SCHEMBL21794520 | 0.67 | CYP2D6 (0.53) | CYP2D6CACNA1B | |
| SCHEMBL23735756 | 0.65 | EGFR (0.37) | MEN1KMT2A | |
| SCHEMBL2841384 | 0.65 | KMT2A (0.45) | MEN1KMT2A | |
| SCHEMBL2841382 | 0.65 | KMT2A (0.45) | MEN1KMT2A | |
| SCHEMBL20314985 | 0.65 | PIK3CD (0.48) | CYP2D6CACNA1B | |
| SCHEMBL15709423 | 0.64 | HCAR2 (0.43) | MEN1KMT2A |
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 |