SCHEMBL28073179

SCHEMBL28073179

COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.52
MAP2K2 P36507 4/20 0.52
CHEK1 O14757 1/20 0.52
MAPK10 P53779 1/20 0.52
PRKAG1 P54619 1/20 0.52
ADCK1 Q86TW2 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
CA2 P00918 4/20 0.50
FLT1 P17948 1/20 0.43
PIM1 P11309 1/20 0.43
CAMK2B Q13554 1/20 0.43

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
SCHEMBL345623 0.81 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL389984 0.81 MAP2K1 (0.62) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL935637 0.79 MAP2K1 (0.50) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL2954977 0.79 MAP2K1 (0.69) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL10285170 0.78 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12943976 0.78 MAP2K1 (0.56) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL685422 0.77 MAP2K1 (0.61) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL346016 0.76 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1681367 0.76 MAP2K1 (0.50) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12869983 0.75 MAP2K1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103479604-B N-(virtue amino) sulfamide derivative including polymorph and compositions, its using method and preparation method as mek inhibitor 阿迪生物科学公司 2016-08-10 CN disclosed