Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.91 |
| ▸ | RAF1 | P04049 | 3/20 | 0.91 |
| ▸ | LYN | P07948 | 3/20 | 0.91 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.91 |
| ▸ | SRC | P12931 | 2/20 | 0.91 |
| ▸ | MAPK14 | Q16539 | 11/20 | 0.63 |
| ▸ | TNF | P01375 | 5/20 | 0.63 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.63 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.63 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.63 |
| ▸ | EGFR | P00533 | 2/20 | 0.63 |
| ▸ | BRAF | P15056 | 2/20 | 0.63 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.63 |
| ▸ | EPHA3 | P29320 | 2/20 | 0.63 |
| ▸ | HCK | P08631 | 2/20 | 0.63 |
| ▸ | CIT | O14578 | 1/20 | 0.63 |
| ▸ | MUSK | O15146 | 1/20 | 0.63 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.63 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.63 |
| ▸ | STK10 | O94804 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL3185172 | 0.95 | ABL1 (1.00) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL6279509 | 0.90 | ABL1 (0.89) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL4091524 | 0.89 | ABL1 (0.88) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL4086140 | 0.89 | ABL1 (0.88) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL13941119 | 0.88 | ABL1 (0.86) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL4096870 | 0.88 | ABL1 (0.85) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL4087013 | 0.88 | ABL1 (0.85) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL4557827 | 0.87 | ABL1 (0.84) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL4087144 | 0.87 | ABL1 (0.84) | ABL1RAF1LYNMAPK9SRC | |
| SCHEMBL27515201 | 0.87 | ABL1 (0.75) | ABL1RAF1LYNMAPK9SRC |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007109434-A1 | BESYLATE SALT FORM OF 1- (5-TERT-BUTYL-2-P-T0LYL-2H-PYRAZ0L-3-YL) -3- (4- (6- (MORPHOLIN-4-YL-METHYL) -PYRID IN- 3 -YL) -NAPHTHALEN- 1-YL) -UREA AND POLYMORPHS THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-09-27 | — | — | WO | claimed |
| WO-2007109434-A1 | BESYLATE SALT FORM OF 1- (5-TERT-BUTYL-2-P-T0LYL-2H-PYRAZ0L-3-YL) -3- (4- (6- (MORPHOLIN-4-YL-METHYL) -PYRID IN- 3 -YL) -NAPHTHALEN- 1-YL) -UREA AND POLYMORPHS THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007109434-A1 | BESYLATE SALT FORM OF 1- (5-TERT-BUTYL-2-P-T0LYL-2H-PYRAZ0L-3-YL) -3- (4- (6- (MORPHOLIN-4-YL-METHYL) -PYRID IN- 3 -YL) -NAPHTHALEN- 1-YL) -UREA AND POLYMORPHS THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-09-27 | — | — | WO | disclosed |