SCHEMBL6505308

SCHEMBL6505308

CCOC(=O)c1cnc(Cl)cc1Nc1ccc(Br)cc1F.Nc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.47
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
MAP2K2 P36507 3/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AURKB Q96GD4 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SYK P43405 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5623989 0.94 MAP2K1 (0.49) MAP2K1GAAMAPTTHRBMAP2K2
SCHEMBL6499106 0.90 MAP2K2 (0.46) MAP2K1GAAMAPTMAP2K2MAPK1
SCHEMBL6497453 0.90 THRB (0.45) MAP2K1MAPTTHRBMAP2K2MAPK1
SCHEMBL3874547 0.84 MAPT (0.60) GAAMAPTTHRBMAPK1NPSR1
SCHEMBL5623906 0.84 THRB (0.49) MAP2K1GAAMAPTTHRBMAP2K2
SCHEMBL5624190 0.84 MAP2K2 (0.50) MAP2K1GAAMAPTTHRBMAP2K2
SCHEMBL5624185 0.83 MAP2K2 (0.47) MAP2K1GAAMAPTTHRBMAP2K2
SCHEMBL5622895 0.82 MAP2K1 (0.61) MAP2K1MAP2K2SYK
SCHEMBL6504254 0.79 MAP2K2 (0.44) MAP2K1GAAMAPTTHRBMAP2K2
SCHEMBL6505710 0.78 MAP2K1 (0.57) MAP2K1MAP2K2JAK2JAK1TYK2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000818-A1 5-SUBSTITUTED-4-`(SUBSTITUTED PHENYL)!AMINO!-2-PYRIDONE DEVIATIVES FOR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO disclosed