⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6773423 | 0.77 | ACVR1 (0.33) | — | |
| SCHEMBL6767763 | 0.77 | IP6K1 (0.45) | — | |
| SCHEMBL6769464 | 0.69 | PIM1 (0.33) | — | |
| SCHEMBL7496083 | 0.69 | GABRP (0.51) | — | |
| SCHEMBL7657497 | 0.68 | UHRF1 (0.35) | — | |
| SCHEMBL28490365 | 0.68 | PARP1 (0.35) | — | |
| SCHEMBL3319993 | 0.68 | GABRP (0.42) | — | |
| SCHEMBL7970840 | 0.68 | PNP (0.40) | — | |
| SCHEMBL6769664 | 0.66 | CHEK1 (0.46) | — | |
| SCHEMBL1557037 | 0.65 | SPR (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6723726-B1 | Protein tyrosine kinase inhibitors | SMITHKLINE BEECHAM CORPORATION | 2004-04-20 | — | — | US | disclosed |
| EP-0912570-B1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | GLAXO GROUP LTD (GB) | 2003-09-10 | — | — | EP | disclosed |
| EP-1304110-A2 | Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors | GLAXO GROUP LIMITED (GB) | 2003-04-23 | — | — | EP | disclosed |
| EP-0912572-B1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | GLAXO GROUP LTD (GB) | 2003-01-15 | — | — | EP | disclosed |
| US-6207669-B1 | IN TREATMENT OF CANCER AND PSORIASIS | GLAXO WELLCOME INC. | 2001-03-27 | — | — | US | disclosed |
| US-6174889-B1 | PROTEIN TYROSINE KINASE INHIBITORS RELATED TO BIOISOSTERES OF QUINOLINE AND QUINAZOLINE DERIVATIVES; ANTICARCINOGENIC AND -TUMOR AGENTS; PSORIASIS; RESTENOSIS; RHEUMATOID ARTHRITIS, AUTOIMMUNE DISEASE, ALLERGY, ASTHMA AND GRAFT REJECTION | GLAXO WELLCOME INC. | 2001-01-16 | — | — | US | disclosed |