⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL20314945 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL20315001 | 0.82 | CHRNB2 (0.30) | — | |
| SCHEMBL21610076 | 0.82 | CASP1 (0.30) | — | |
| SCHEMBL20314999 | 0.80 | MCL1 (0.35) | — | |
| SCHEMBL29953434 | 0.78 | CA12 (0.34) | — | |
| SCHEMBL18904824 | 0.76 | FLT3 (0.32) | — | |
| SCHEMBL20314918 | 0.75 | CHRNB2 (0.31) | — | |
| SCHEMBL1380467 | 0.73 | CA12 (0.42) | — | |
| SCHEMBL22212238 | 0.71 | CA12 (0.38) | — | |
| SCHEMBL23394194 | 0.70 | CYP1A2 (0.34) | — |
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 |