SCHEMBL5025825

SCHEMBL5025825

COCCOc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(O)C(O)CNS(=O)(=O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.45
MAP2K2 P36507 6/20 0.45
CHEK1 O14757 1/20 0.45
MAPK10 P53779 1/20 0.45
PRKAG1 P54619 1/20 0.45
ADCK1 Q86TW2 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
CA2 P00918 3/20 0.38
PIM1 P11309 1/20 0.38
CAMK2B Q13554 1/20 0.38
BRAF P15056 1/20 0.37
MAPK1 P28482 1/20 0.37
MAP2K5 Q13163 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36

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
SCHEMBL21142972 0.91 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL15111098 0.91 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL466209 0.91 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1527813 0.85 MAP2K1 (0.42) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL15537286 0.82 MAP2K1 (0.53) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL5023528 0.82 MAP2K1 (0.54) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1527738 0.79 MAP2K1 (0.45) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1992506 0.76 MAP2K1 (0.36) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL28704528 0.74 MAP2K1 (0.51) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL5023040 0.74 MAP2K1 (0.47) 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
EP-1912636-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK Ardea Biosciences, Inc. (US) 2008-04-23 EP disclosed
WO-2007014011-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2007-02-01 WO disclosed