Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | BRAF known ✓ | P15056 | 10/20 | 0.45 |
| ▸ | KDR known ✓ | P35968 | 7/20 | 0.45 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 7/20 | 0.45 |
| ▸ | KRAS | P01116 | 6/20 | 0.45 |
| ▸ | MAP2K2 | P36507 | 5/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 5/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 9/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | ARAF | P10398 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.34 |
| ▸ | CSK | P41240 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5067066 | 0.79 | BRAF (0.52) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL4278944 | 0.77 | NTRK1 (0.39) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL5067060 | 0.75 | BRAF (0.54) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL5061750 | 0.75 | BRAF (0.54) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL5061877 | 0.71 | BRAF (0.56) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL5062602 | 0.71 | BRAF (0.55) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL5057694 | 0.69 | BRAF (0.52) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL5061289 | 0.69 | BRAF (0.65) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL4421196 | 0.69 | BRAF (0.55) | BRAFKDRRAF1KRASMAP2K2 | |
| SCHEMBL5065274 | 0.69 | BRAF (0.65) | BRAFKDRRAF1KRASMAP2K2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2063897-A2 | KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Deciphera Pharmaceuticals, LLC. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008034008-A2 | KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | DECIPHERA PHARMACEUTICALS, LLC. (US) | 2008-03-20 | — | — | WO | disclosed |