SCHEMBL4583039

SCHEMBL4583039

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C4(Cl)C=CC=C(Cl)C4C(N)=O)c3)n2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.49
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
PLK1 P53350 1/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
HDAC1 Q13547 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
JAK3 P52333 1/20 0.41
ABL1 P00519 2/20 0.40
SYK P43405 1/20 0.39
PDGFRB P09619 1/20 0.38
BCR P11274 1/20 0.38
PDGFRA P16234 1/20 0.38

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 0.75 JAK2 (0.82) JAK2AURKAAURKBPLK1PIK3CA
SCHEMBL4583044 0.73 JAK2 (0.61) JAK2AURKAAURKBPLK1PIK3CA
SCHEMBL13588591 0.72 JAK2 (0.72) JAK2AURKAAURKBPLK1PIK3CA
SCHEMBL4375081 0.67 JAK2 (1.00) JAK2AURKAAURKBPLK1HDAC1
SCHEMBL4375286 0.66 JAK2 (0.82) JAK2AURKAAURKBPLK1HDAC1
SCHEMBL4379888 0.66 JAK2 (1.00) JAK2AURKAAURKBPLK1HDAC1
SCHEMBL7470116 0.66 JAK2 (0.68) JAK2AURKAAURKBPLK1HDAC1
SCHEMBL7475764 0.66 JAK2 (0.71) JAK2PLK1HDAC1HDAC6JAK3
SCHEMBL4378544 0.65 JAK2 (0.67) JAK2PIK3CAPIK3CBPIK3CGABL1
SCHEMBL3598695 0.65 JAK2 (0.56) JAK2AURKAAURKBPLK1PIK3CA

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