⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6959150 | 0.86 | — | — | |
| SCHEMBL6959426 | 0.85 | PSMB1 (0.33) | — | |
| SCHEMBL6956708 | 0.81 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL6961257 | 0.81 | PIK3CD (0.41) | — | |
| SCHEMBL6955131 | 0.80 | RAB9A (0.33) | — | |
| SCHEMBL6959771 | 0.80 | KCNA3 (0.32) | — | |
| SCHEMBL9975302 | 0.79 | TACR1 (0.33) | — | |
| SCHEMBL6955686 | 0.79 | GNAI3 (0.34) | — | |
| SCHEMBL6958844 | 0.77 | TACR1 (0.31) | — | |
| SCHEMBL6960555 | 0.77 | LTA4H (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8349857-B2 | Quinazoline derivatives having tyrosine kinase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2013-01-08 | — | — | US | disclosed |
| US-8202879-B2 | Quinazoline derivatives having tyrosine kinase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2012-06-19 | — | — | US | disclosed |
| US-20120123114-A1 | QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-20090143414-A1 | Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity | SHIONOGI & CO., LTD. (JP) | 2009-06-04 | — | — | US | disclosed |