⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13840985 | 0.74 | KMT2A (0.40) | — | |
| SCHEMBL22019074 | 0.72 | NPC1 (0.38) | — | |
| SCHEMBL23871973 | 0.71 | TP53 (0.43) | — | |
| SCHEMBL19675270 | 0.69 | — | — | |
| SCHEMBL5960697 | 0.68 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10252407 | 0.68 | HDAC3 (0.50) | — | |
| SCHEMBL27644272 | 0.67 | L3MBTL1 (0.44) | — | |
| SCHEMBL25611951 | 0.67 | — | — | |
| SCHEMBL20867336 | 0.67 | HDAC1 (0.36) | — | |
| SCHEMBL6365373 | 0.66 | CA12 (0.31) | — |
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 |