Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRPF1 | P55201 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20487884 | 0.86 | BRPF1 (0.46) | BRPF1SMN1; SMN2HASPINPBRM1HSD17B10 | |
| SCHEMBL19644386 | 0.83 | NR4A2 (0.54) | SMN1; SMN2HSD17B10KDM4EALDH1A1TP53 | |
| SCHEMBL21024318 | 0.83 | ALDH1A1 (0.35) | BRPF1CSNK2A2CSNK2BCSNK2A1ALDH1A1 | |
| SCHEMBL4301614 | 0.80 | CSNK2A1 (0.56) | HSD17B10KDM4ECSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL21752200 | 0.78 | BRPF1 (0.37) | BRPF1HASPINPBRM1HSD17B10KDM4E | |
| SCHEMBL16205508 | 0.78 | MAPT (0.44) | SMN1; SMN2KDM4EKMT2AMEN1ALDH1A1 | |
| SCHEMBL19657598 | 0.77 | NR4A2 (0.35) | SMN1; SMN2KDM4ENR4A2 | |
| SCHEMBL19657777 | 0.76 | — | — | |
| SCHEMBL4300488 | 0.75 | CYP1A2 (0.63) | HSD17B10KDM4EKMT2AMEN1ALDH1A1 | |
| SCHEMBL22822744 | 0.70 | LMNA (0.30) | LMNA |
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-9643964-B2 | 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer | JANSSEN PHARMACEUTICA NV (BE) | 2017-05-09 | — | — | US | disclosed |
| WO-2014174021-A1 | 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER | JANSSEN PHARMACEUTICA NV (BE) | 2014-10-30 | — | — | WO | disclosed |