⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1269756 | 0.82 | IGF1R (0.39) | — | |
| SCHEMBL915798 | 0.77 | DRD2 (0.36) | — | |
| SCHEMBL3923429 | 0.77 | DRD2 (0.43) | — | |
| SCHEMBL3004140 | 0.69 | NFKB1 (0.36) | — | |
| SCHEMBL1269055 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL2205494 | 0.66 | PIK3C3 (0.35) | — | |
| SCHEMBL3041021 | 0.65 | KDM4E (0.40) | — | |
| SCHEMBL4068340 | 0.65 | — | — | |
| SCHEMBL13841067 | 0.65 | — | — | |
| SCHEMBL18372841 | 0.64 | KMT2A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2051980-B1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-02-26 | — | — | EP | disclosed |
| US-7531539-B2 | Pyrrolotriazine kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-05-12 | — | — | US | disclosed |
| US-20080045496-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2008-02-21 | — | — | US | disclosed |