SCHEMBL4562609

SCHEMBL4562609

CCCCCC1(S(=O)(=O)Nc2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.49
MAP2K2 P36507 18/20 0.49
CHEK1 O14757 1/20 0.49
MAPK10 P53779 1/20 0.49
PRKAG1 P54619 1/20 0.49
ADCK1 Q86TW2 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41

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
SCHEMBL19050688 0.89 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL391581 0.87 MAP2K1 (0.55) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL393638 0.82 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL391190 0.81 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL392580 0.81 MAP2K1 (0.50) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL10254121 0.80 MAP2K1 (0.47) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL389793 0.79 MAP2K1 (0.73) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL391551 0.79 MAP2K1 (0.73) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL389794 0.79 MAP2K1 (0.73) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050836 0.78 MAP2K1 (0.45) 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
WO-2009129246-A2 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARDEA BIOSCIENCES, INC. (US) 2009-10-22 WO disclosed