SCHEMBL3804823

SCHEMBL3804823

COc1cc(=O)n(C)c(Nc2ccc(I)cc2Cl)c1NS(=O)(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
SRC P12931 1/20 0.36
BRPF1 P55201 3/20 0.35
WDR5 P61964 1/20 0.35
CCR4 P51679 3/20 0.34
CYP17A1 P05093 2/20 0.33
MRGPRX1 Q96LB2 2/20 0.33
ROS1 P08922 1/20 0.33
ALK Q9UM73 1/20 0.33
MAP2K1 Q02750 3/20 0.33
MAP2K2 P36507 2/20 0.33
BRAF P15056 1/20 0.33
PIK3CA P42336 1/20 0.33
PRKDC P78527 1/20 0.33
RAF1 P04049 1/20 0.33
PDGFRB P09619 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL3807711 0.88 MAP2K1 (0.43) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13063853 0.88 SRC (0.38) ADRA2AADRA2BSRCWDR5CCR4
SCHEMBL13063827 0.86 LMNA (0.39) SRCBRPF1WDR5CCR4MAP2K1
SCHEMBL3808781 0.86 MAP2K1 (0.42) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL13063540 0.85 SRC (0.37) ADRA2AADRA2BSRCWDR5CCR4
SCHEMBL13063528 0.85 MAP2K1 (0.42) BRPF1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL13063861 0.84 MAP2K1 (0.48) BRPF1MAP2K1TRIM24
SCHEMBL3804582 0.83 MAP2K1 (0.42) MAP2K1
SCHEMBL3809160 0.83 LRRK2 (0.35) SRCWDR5CCR4CYP17A1MAP2K1
SCHEMBL13063539 0.82 SRC (0.35) SRCCCR4BRAF

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