SCHEMBL20034583

SCHEMBL20034583

Cc1ccc(Nc2c(NS(=O)(=O)C3(CC(O)CO)CC3)cc3scnc3c2F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.49
MAP2K2 P36507 2/20 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
RIPK2 O43353 4/20 0.33
PKLR P30613 1/20 0.32
MAP2K5 Q13163 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL15129345 0.90 MAP2K1 (0.59) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL20034606 0.87 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL15129419 0.84 MAP2K1 (0.41) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL20034576 0.84 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050852 0.83 MAP2K1 (0.60) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050680 0.83 MAP2K1 (0.60) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050691 0.83 MAP2K1 (0.60) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19366602 0.83 MAP2K1 (0.34) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL10253684 0.79 MAP2K1 (0.66) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL19050683 0.79 MAP2K1 (0.66) 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
US-9937158-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2018-04-10 US disclosed