⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23583943 | 0.72 | TEAD1 (0.34) | — | |
| SCHEMBL23735871 | 0.72 | — | — | |
| SCHEMBL27095802 | 0.68 | MAPT (0.40) | — | |
| SCHEMBL10254138 | 0.66 | OPRD1 (0.36) | — | |
| SCHEMBL18948536 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL14328691 | 0.65 | HSD11B1 (0.30) | — | |
| SCHEMBL14328682 | 0.65 | HSD11B1 (0.30) | — | |
| SCHEMBL15779880 | 0.64 | MAPT (0.35) | — | |
| SCHEMBL1467994 | 0.64 | SIGMAR1 (0.36) | — | |
| SCHEMBL3632233 | 0.63 | SIGMAR1 (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 |