SCHEMBL3967352

SCHEMBL3967352

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(C#N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.39
AXL P30530 2/20 0.39
JAK2 O60674 9/20 0.38
JAK3 P52333 8/20 0.38
KDR P35968 3/20 0.37
CDK1 P06493 2/20 0.37
JAK1 P23458 4/20 0.36
TYK2 P29597 3/20 0.36
LRRK2 Q5S007 2/20 0.36
HDAC1 Q13547 3/20 0.35
BRD4 O60885 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
RET P07949 2/20 0.35
FLT3 P36888 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
LTA4H P09960 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 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 0.91 AXL (0.42) CHEK1AXLJAK2JAK3JAK1
SCHEMBL3971087 0.88 AXL (0.41) CHEK1AXLJAK2JAK3JAK1
SCHEMBL3967433 0.87 AXL (0.44) AXLJAK2JAK3JAK1TYK2
SCHEMBL3965200 0.86 AXL (0.41) AXLJAK2JAK3KDRCDK1
SCHEMBL3967985 0.86 AXL (0.39) AXLJAK2JAK3JAK1TYK2
SCHEMBL3965488 0.85 CHRNA1 (0.41) CHEK1AXLJAK2JAK3KDR
SCHEMBL3967639 0.85 AXL (0.39) AXLJAK2JAK3KDRCDK1
SCHEMBL3966066 0.85 AXL (0.41) CHEK1AXLJAK2JAK3KDR
SCHEMBL3971221 0.85 JAK2 (0.41) AXLJAK2JAK3CDK1JAK1
SCHEMBL3973562 0.84 AXL (0.42) 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