Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT14 | O95848 | 2/20 | 0.52 |
| ▸ | NUDT5 | Q9UKK9 | 2/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.52 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.52 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.52 |
| ▸ | PRKDC | P78527 | 2/20 | 0.52 |
| ▸ | LCK | P06239 | 12/20 | 0.50 |
| ▸ | SRC | P12931 | 11/20 | 0.50 |
| ▸ | TEK | Q02763 | 9/20 | 0.50 |
| ▸ | KDR | P35968 | 6/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.50 |
| ▸ | FYN | P06241 | 2/20 | 0.48 |
| ▸ | LYN | P07948 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.48 |
| ▸ | PAK4 | O96013 | 2/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.48 |
| ▸ | PRKACA | P17612 | 2/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6865619 | 0.97 | NUDT14 (0.54) | NUDT14NUDT5PIK3CDPIK3CAPIK3CB | |
| SCHEMBL410257 | 0.96 | NUDT14 (0.55) | NUDT14NUDT5PIK3CDPIK3CAPIK3CB | |
| SCHEMBL29552165 | 0.96 | NUDT14 (0.55) | NUDT14NUDT5PIK3CDPIK3CAPIK3CB | |
| SCHEMBL2073031 | 0.84 | LCK (0.54) | NUDT14NUDT5PIK3CDPIK3CAPIK3CB | |
| SCHEMBL7021288 | 0.83 | LRRK2 (0.63) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL31612016 | 0.82 | CDC7 (0.50) | NUDT14NUDT5PIK3CDPIK3CAPIK3CB | |
| SCHEMBL6871843 | 0.81 | PRMT5 (0.57) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL4350812 | 0.80 | KDR (0.57) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL24710755 | 0.77 | LRRK2 (0.51) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL20081120 | 0.76 | BTK (0.47) | NUDT14NUDT5PIK3CDPIK3CAPIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0970084-B1 | PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS | BASF AG (DE) | 2003-06-04 | — | — | EP | disclosed |
| EP-0970084-A1 | PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-12 | — | — | EP | disclosed |
| US-6001839-A | Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-14 | — | — | US | disclosed |
| WO-1998041525-A1 | PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-24 | — | — | WO | disclosed |