⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22349086 | 0.84 | KDR (0.37) | — | |
| SCHEMBL25667661 | 0.79 | ADORA2A (0.33) | — | |
| SCHEMBL25696139 | 0.75 | — | — | |
| SCHEMBL22924100 | 0.73 | — | — | |
| SCHEMBL17030758 | 0.71 | MAPK1 (0.33) | — | |
| SCHEMBL22328049 | 0.71 | METAP2 (0.33) | — | |
| SCHEMBL22328040 | 0.68 | — | — | |
| SCHEMBL25667667 | 0.66 | KDR (0.37) | — | |
| SCHEMBL24981738 | 0.64 | HTR1D (0.30) | — | |
| SCHEMBL21719808 | 0.64 | HCAR2 (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230203060-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) | 2023-06-29 | — | — | US | disclosed |
| US-20230203060-A1 | FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) | 2023-06-29 | — | — | US | disclosed |
| US-11639346-B2 | Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS | ARAXES PHARMA LLC (US) | 2023-05-02 | — | — | US | disclosed |
| US-11639346-B2 | Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS | ARAXES PHARMA LLC (US) | 2023-05-02 | — | — | US | disclosed |
| US-20210380595-A1 | 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS | ARAXES PHARMA LLC (US) | 2021-12-09 | — | — | US | disclosed |
| US-20210317127-A1 | HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER | ARAXES PHARMA LLC (US) | 2021-10-14 | — | — | US | disclosed |
| US-10745385-B2 | Covalent inhibitors of KRAS | ARAXES PHARMA LLC (US) | 2020-08-18 | — | — | US | disclosed |
| US-10736897-B2 | Compounds and methods of use thereof for treatment of cancer | ARAXES PHARMA LLC (US) | 2020-08-11 | — | — | US | disclosed |