SCHEMBL3964520

SCHEMBL3964520

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
CDK1 P06493 2/20 0.41
KDR P35968 2/20 0.41
LTA4H P09960 2/20 0.40
JAK2 O60674 6/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 5/20 0.38
USP2 O75604 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP1A2 P05177 4/20 0.38
CASP1 P29466 4/20 0.38
CASP7 P55210 4/20 0.38
CYP3A4 P08684 3/20 0.38
HBB P68871 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CLK4 Q9HAZ1 1/20 0.38
JAK3 P52333 5/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38

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 0.88 AXL (0.42) AXLLTA4HJAK2HDAC1HDAC6
SCHEMBL3973562 0.87 AXL (0.42) AXLLTA4HJAK2HDAC1HDAC6
SCHEMBL3967336 0.87 SRC (0.44) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3971087 0.86 AXL (0.41) AXLLTA4HJAK2HDAC1HDAC6
SCHEMBL3965200 0.85 AXL (0.41) AXLCDK1KDRLTA4HJAK2
SCHEMBL3967433 0.85 AXL (0.44) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3965488 0.85 CHRNA1 (0.41) AXLCDK1KDRLTA4HJAK2
SCHEMBL3967985 0.84 AXL (0.39) AXLLTA4HJAK2HDAC1HDAC6
SCHEMBL3966066 0.83 AXL (0.41) AXLKDRJAK2HDAC1HDAC6
SCHEMBL3967352 0.83 CHEK1 (0.39) AXLCDK1KDRLTA4HJAK2

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