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 | |
|---|---|---|---|---|
| ▸ | BTK known ✓ | Q06187 | 2/20 | 0.83 |
| ▸ | KIT | P10721 | 9/20 | 0.83 |
| ▸ | FLT1 | P17948 | 8/20 | 0.83 |
| ▸ | FLT3 | P36888 | 8/20 | 0.83 |
| ▸ | CSF1R | P07333 | 7/20 | 0.83 |
| ▸ | LCK | P06239 | 6/20 | 0.83 |
| ▸ | FGFR1 | P11362 | 6/20 | 0.83 |
| ▸ | AURKA | O14965 | 6/20 | 0.83 |
| ▸ | GSK3B | P49841 | 5/20 | 0.83 |
| ▸ | PLK4 | O00444 | 5/20 | 0.83 |
| ▸ | ABL1 | P00519 | 5/20 | 0.83 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.83 |
| ▸ | FYN | P06241 | 5/20 | 0.83 |
| ▸ | LYN | P07948 | 5/20 | 0.83 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.83 |
| ▸ | MARK3 | P27448 | 5/20 | 0.83 |
| ▸ | BLK | P51451 | 5/20 | 0.83 |
| ▸ | RPS6KA3 | P51812 | 5/20 | 0.83 |
| ▸ | NEK2 | P51955 | 5/20 | 0.83 |
| ▸ | LIMK1 | P53667 | 5/20 | 0.83 |
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 | |
|---|---|---|---|---|
| SCHEMBL30055372 | 0.91 | KIT (1.00) | KITFLT1FLT3CSF1RLCK | |
| SCHEMBL546436 | 0.91 | KIT (1.00) | KITFLT1FLT3CSF1RLCK | |
| Bromide SCHEMBL5436521 | 0.91 | KIT (0.98) | KITFLT1FLT3CSF1RLCK | |
| Hydrochloric Acid SCHEMBL4301600 | 0.91 | KIT (0.98) | KITFLT1FLT3CSF1RLCK | |
| Alcohol SCHEMBL3238965 | 0.88 | FLT1 (0.93) | KITFLT1FLT3CSF1RLCK | |
| SCHEMBL4473254 | 0.83 | KIT (0.83) | KITFLT1FLT3CSF1RLCK | |
| SCHEMBL4486498 | 0.82 | KIT (0.82) | KITFLT1FLT3CSF1RLCK | |
| SCHEMBL4487735 | 0.82 | KIT (0.82) | KITFLT1FLT3CSF1RLCK | |
| SCHEMBL3567472 | 0.81 | FLT1 (0.62) | KITFLT1FLT3CSF1RLCK | |
| SCHEMBL4478648 | 0.81 | FLT1 (0.79) | KITFLT1FLT3CSF1RLCK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7745622-B2 | Crystalline N-(4-(4-ammoniumthieno[2,3-d]pyrimidin-5-yl)phenyl)-N′-(2-fluoro-5-(trifluoromethyl)phenyl)urea benzenesulfonate | ABBOTT LABORATORIES, INC. (US) | 2010-06-29 | — | — | US | disclosed |