Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 5/20 | 0.57 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.56 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.47 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.47 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084501 | 0.89 | CHEK2 (0.50) | CHEK2SMAD3CCNE2CCNE1CDK2 | |
| SCHEMBL1084738 | 0.88 | CHEK2 (0.55) | CHEK2SMAD3MEN1KMT2AALDH1A1 | |
| SCHEMBL12721527 | 0.87 | SMAD3 (0.73) | CHEK2SMAD3MEN1KMT2AALDH1A1 | |
| SCHEMBL1084518 | 0.86 | CHEK2 (0.56) | CHEK2SMAD3MEN1KMT2APBRM1 | |
| SCHEMBL1084051 | 0.85 | CHEK2 (0.55) | CHEK2SMAD3MEN1KMT2AALDH1A1 | |
| SCHEMBL13769449 | 0.85 | CHEK2 (0.62) | CHEK2SMAD3MEN1KMT2AALDH1A1 | |
| SCHEMBL1084343 | 0.85 | CHEK2 (0.56) | CHEK2SMAD3MEN1KMT2AALDH1A1 | |
| SCHEMBL1084638 | 0.85 | CHEK2 (0.56) | CHEK2SMAD3MEN1KMT2AALDH1A1 | |
| SCHEMBL1084520 | 0.85 | CHEK2 (0.54) | CHEK2SMAD3MEN1KMT2AALDH1A1 | |
| SCHEMBL183923 | 0.84 | CHEK2 (0.58) | CHEK2SMAD3MEN1KMT2AALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |