Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.53 |
| ▸ | BTK | Q06187 | 3/20 | 0.52 |
| ▸ | ABL1 | P00519 | 2/20 | 0.51 |
| ▸ | BCR | P11274 | 2/20 | 0.51 |
| ▸ | BRAF | P15056 | 4/20 | 0.49 |
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.49 |
| ▸ | WDR5 | P61964 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.47 |
| ▸ | KIT | P10721 | 2/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.44 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL4771183 | 0.96 | RIPK1 (0.49) | RIPK1BTKABL1BCRBRAF | |
| SCHEMBL4773340 | 0.90 | NPC1 (0.53) | RIPK1BTKABL1BCRBRAF | |
| SCHEMBL4352904 | 0.85 | TTBK1 (0.51) | ABL1BRAFTNNI3KCYP3A4CYP2D6 | |
| SCHEMBL4065929 | 0.83 | RIPK1 (0.60) | RIPK1BTKWDR5KMT2ATBK1 | |
| SCHEMBL7492081 | 0.83 | EGFR (0.58) | ABL1BRAFTNNI3KTTBK1TTBK2 | |
| SCHEMBL4766930 | 0.83 | KDR (0.54) | BTKABL1BCRBRAFTNNI3K | |
| SCHEMBL7497707 | 0.82 | BRAF (0.54) | ABL1BRAFTNNI3KKMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL4764268 | 0.82 | KDR (0.54) | BTKABL1BCRBRAFTNNI3K | |
| SCHEMBL13604150 | 0.82 | RIPK1 (0.61) | RIPK1BTKWDR5KMT2ATBK1 | |
| SCHEMBL4766962 | 0.82 | CYP1A2 (0.53) | ABL1BRAFTNNI3KCYP3A4CYP2D6 |
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-0938486-B1 | SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2008-01-16 | — | — | EP | claimed |
| US-6180636-B1 | USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS | NOVARTIS AG (CH) | 2001-01-30 | — | — | US | claimed |
| EP-0938486-A1 | SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION | Novartis AG (CH) | 1999-09-01 | — | — | EP | claimed |
| WO-1998007726-A1 | SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1998-02-26 | — | — | WO | claimed |