SCHEMBL4593985

SCHEMBL4593985

CC(=O)Nc1ccc(-c2nc(Nc3cccc(N(C(=O)c4c(Cl)cccc4Cl)c4ccccc4)c3)ncc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
JAK3 P52333 3/20 0.48
MAP3K5 Q99683 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
EGFR P00533 1/20 0.42
BTK Q06187 1/20 0.42
ABL1 P00519 2/20 0.41
PDGFRB P09619 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPK14 Q16539 1/20 0.41
PAK1 Q13153 1/20 0.41

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
SCHEMBL4378262 0.83 JAK2 (0.70) JAK2HDAC1HDAC6JAK3MAP3K5
SCHEMBL13588617 0.81 JAK2 (0.65) JAK2HDAC1HDAC6JAK3MAP3K5
SCHEMBL4377247 0.77 ATM (0.55) JAK2HDAC1HDAC6JAK3MAP3K5
SCHEMBL4380161 0.77 JAK2 (0.61) JAK2HDAC1HDAC6JAK3MAP3K5
SCHEMBL4379855 0.76 JAK2 (0.59) JAK2HDAC1HDAC6JAK3MAP3K5
SCHEMBL8239261 0.76 JAK2 (0.53) JAK2HDAC1HDAC6JAK3MAP3K5
SCHEMBL4381621 0.73 JAK2 (0.69) JAK2HDAC1HDAC6MAP3K5AURKA
SCHEMBL4383459 0.70 JAK2 (0.82) JAK2HDAC1HDAC6JAK3
SCHEMBL13588620 0.70 JAK2 (0.61) JAK2HDAC1HDAC6MAP3K5AURKA
SCHEMBL3752960 0.69 JAK2 (0.56) JAK2HDAC1HDAC6JAK3EGFR

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 claimed