SCHEMBL3808230

SCHEMBL3808230

COc1cc(=O)n(C)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1CC1CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.43
MAP2K2 P36507 2/20 0.43
CHEK1 O14757 1/20 0.43
MAPK10 P53779 1/20 0.43
PRKAG1 P54619 1/20 0.43
ADCK1 Q86TW2 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
MAP2K5 Q13163 1/20 0.39
EIF2AK1 Q9BQI3 1/20 0.39

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
SCHEMBL13063825 0.90 MAP2K1 (0.41) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL3807054 0.90 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5
SCHEMBL3786633 0.88 MAP2K1 (0.38) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL3807711 0.86 MAP2K1 (0.43) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL3804101 0.85 MAP2K1 (0.40) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL3808781 0.85 MAP2K1 (0.42) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13063528 0.84 MAP2K1 (0.42) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13063564 0.84 MAP2K1 (0.39) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13063529 0.84 MAP2K1 (0.44) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13063784 0.83 MAP2K1 (0.39) MAP2K1MAP2K2CHEK1MAPK10PRKAG1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed
WO-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed