⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16932511 | 0.89 | DUT (0.30) | — | |
| SCHEMBL16932504 | 0.84 | PIP4K2A (0.32) | — | |
| SCHEMBL18626356 | 0.84 | PIP4K2A (0.32) | — | |
| SCHEMBL16943622 | 0.81 | — | — | |
| SCHEMBL16932505 | 0.79 | — | — | |
| SCHEMBL16932518 | 0.78 | PRMT5 (0.30) | — | |
| SCHEMBL16932516 | 0.78 | PRMT5 (0.30) | — | |
| SCHEMBL18626339 | 0.73 | PRMT5 (0.34) | — | |
| SCHEMBL16932517 | 0.73 | PRMT5 (0.34) | — | |
| SCHEMBL16932515 | 0.73 | PRMT5 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9593121-B2 | Indole substituted pyrrolopyrimidinyl inhibitors of Uba6 | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-03-14 | — | — | US | disclosed |
| US-20150210700-A1 | INDOLE-SUBSTITUTED PYRROLOPYRIMIDINYL INHIBITORS OF UBA6 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-30 | — | — | US | disclosed |