SCHEMBL4603101

SCHEMBL4603101

CC(C)CCN1CCN(c2cccc(Nc3nccc(-c4ccc(CC(N)=O)cc4)n3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.55
JAK3 P52333 4/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CDK2 P24941 5/20 0.49
FLT3 P36888 4/20 0.49
KIT P10721 2/20 0.49
SRC P12931 2/20 0.49
SYK P43405 2/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
PRKD3 O94806 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
ROS1 P08922 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49
MARK3 P27448 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL4453332 0.87 JAK2 (0.73) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4762218 0.85 JAK2 (0.70) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4378640 0.84 JAK2 (0.51) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4828753 0.83 JAK2 (0.55) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4603072 0.82 JAK2 (0.54) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4584094 0.79 JAK2 (0.59) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4602091 0.76 GSK3B (0.57) JAK2JAK3HDAC1HDAC6GSK3B
SCHEMBL4381182 0.76 JAK2 (0.60) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4583408 0.75 JAK2 (0.57) JAK2JAK3HDAC1HDAC6FLT3
SCHEMBL34463169 0.75 JAK2 (0.65) JAK2JAK3HDAC1HDAC6CDK2

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