SCHEMBL3967433

SCHEMBL3967433

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
AURKB Q96GD4 1/20 0.38
JAK2 O60674 5/20 0.37
JAK3 P52333 4/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 2/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 2/20 0.37
BRD4 O60885 2/20 0.37
RET P07949 1/20 0.37
FLT3 P36888 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PDE4B Q07343 2/20 0.36
CHRNA3 P32297 2/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL3969743 0.93 AXL (0.42) AXLAURKBJAK2JAK3JAK1
SCHEMBL3971087 0.90 AXL (0.41) AXLAURKBJAK2JAK3JAK1
SCHEMBL3965200 0.88 AXL (0.41) AXLJAK2JAK3JAK1TYK2
SCHEMBL3967985 0.88 AXL (0.39) AXLAURKBJAK2JAK3JAK1
SCHEMBL3967639 0.87 AXL (0.39) AXLAURKBJAK2JAK3JAK1
SCHEMBL3966066 0.87 AXL (0.41) AXLAURKBJAK2JAK3JAK1
SCHEMBL3967352 0.87 CHEK1 (0.39) AXLAURKBJAK2JAK3JAK1
SCHEMBL3965488 0.87 CHRNA1 (0.41) AXLAURKBJAK2JAK3JAK1
SCHEMBL3971221 0.87 JAK2 (0.41) AXLAURKBJAK2JAK3JAK1
SCHEMBL3964140 0.85 SRC (0.41) AXLJAK2JAK3JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed