SCHEMBL4593107

SCHEMBL4593107

CC(=O)Nc1ccc(-c2nc([AsH]c3cccc(NS(=O)(=O)c4c(Cl)cccc4Cl)c3)ncc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.43
PKM P14618 2/20 0.40
JAK2 O60674 4/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
UBE2N P61088 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MET P08581 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
JAK3 P52333 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4377247 0.83 ATM (0.55) ATMPIK3C3JAK2HDAC1HDAC6
SCHEMBL8239261 0.80 JAK2 (0.53) ATMPIK3C3JAK2HDAC1HDAC6
SCHEMBL4383414 0.69 JAK2 (0.53) JAK2HDAC1HDAC6NPC1RAB9A
SCHEMBL4378262 0.67 JAK2 (0.70) JAK2HDAC1HDAC6LMNAALDH1A1
SCHEMBL29808901 0.67 JAK2 (0.53) JAK2HDAC1HDAC6NPC1RAB9A
SCHEMBL21121003 0.67 JAK2 (0.53) JAK2HDAC1HDAC6NPC1RAB9A
SCHEMBL2763208 0.67 MAPT (0.64) ATMPKMNPC1RAB9AMEN1
SCHEMBL13588617 0.66 JAK2 (0.65) JAK2HDAC1HDAC6LMNAALDH1A1
SCHEMBL5832095 0.66 ATM (0.62) ATMJAK2NPC1RAB9AMET
SCHEMBL5831179 0.65 ATM (0.65) ATMPKMMEN1MAPTKMT2A

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed