⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12339300 | 0.74 | SOS1 (0.33) | — | |
| SCHEMBL21725612 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3138631 | 0.69 | SOS1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3130639 | 0.69 | SOS1 (0.31) | — | |
| SCHEMBL17789639 | 0.68 | SOS1 (0.45) | — | |
| SCHEMBL757660 | 0.68 | SOS1 (0.32) | — | |
| SCHEMBL20314968 | 0.68 | — | — | |
| SCHEMBL27656844 | 0.67 | SOS1 (0.31) | — | |
| SCHEMBL27443832 | 0.65 | SOS1 (0.52) | — | |
| SCHEMBL6743419 | 0.65 | SOS1 (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 |