SCHEMBL4583044

SCHEMBL4583044

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(-c4ccc(Cl)c(C(N)=O)c4Cl)c3)n2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.61
PLK1 P53350 1/20 0.55
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
SYK P43405 2/20 0.48
PIK3CG P48736 3/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
JAK3 P52333 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MAPK8 P45983 1/20 0.46
GSK3B P49841 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
SRC P12931 2/20 0.44
PRKCA P17252 1/20 0.44

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
SCHEMBL4378411 0.84 JAK2 (0.82) JAK2PLK1AURKAAURKBPIK3CG
SCHEMBL13588591 0.80 JAK2 (0.72) JAK2PLK1AURKAAURKBPIK3CG
SCHEMBL4375081 0.76 JAK2 (1.00) JAK2PLK1AURKAAURKBJAK3
SCHEMBL4375286 0.74 JAK2 (0.82) JAK2PLK1AURKAAURKBJAK3
SCHEMBL4583039 0.73 JAK2 (0.49) JAK2PLK1AURKAAURKBSYK
SCHEMBL7468958 0.73 ABL1 (0.76) JAK2PLK1ABL1BCRPDGFRB
SCHEMBL4378544 0.73 JAK2 (0.67) JAK2PIK3CGPIK3CAPIK3CBABL1
SCHEMBL4733852 0.73 PLK1 (0.84) JAK2PLK1SYKPIK3CGPIK3CA
SCHEMBL4375324 0.72 JAK2 (0.89) JAK2PLK1AURKAAURKBJAK3
SCHEMBL4735155 0.72 PLK1 (1.00) JAK2PLK1SYKPIK3CAJAK3

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