SCHEMBL4454789

SCHEMBL4454789

CCCOc1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.71
JAK3 P52333 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CLK1 P49759 3/20 0.41
DYRK1A Q13627 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CLK2 P49760 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
DGAT1 O75907 1/20 0.41
AKT3 Q9Y243 2/20 0.41
ITGB1 P05556 2/20 0.40
ITGA5 P08648 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40

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
SCHEMBL4381813 0.87 JAK2 (0.71) JAK2JAK3KMT2ACLK1DYRK1A
SCHEMBL4381666 0.84 JAK2 (0.75) JAK2JAK3DGAT1AKT3
SCHEMBL4380086 0.84 JAK2 (0.75) JAK2JAK3DYRK1BDGAT1AKT3
SCHEMBL4374519 0.84 JAK2 (0.75) JAK2JAK3DGAT1AKT3
SCHEMBL4825049 0.84 JAK2 (0.50) JAK2JAK3CHRNB2CHRNB4CHRNA3
SCHEMBL4385023 0.83 JAK2 (1.00) JAK2JAK3KMT2AHDAC1HDAC6
SCHEMBL8230461 0.83 JAK2 (0.73) JAK2JAK3HDAC1DGAT1AKT3
SCHEMBL4380093 0.81 JAK2 (0.68) JAK2JAK3KMT2AHDAC1HDAC6
SCHEMBL4461221 0.81 JAK2 (0.66) JAK2JAK3CLK1DYRK1ACLK4
SCHEMBL4375319 0.81 JAK2 (0.69) JAK2HDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed