SCHEMBL3968635

SCHEMBL3968635

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(-c2cnoc2)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
JAK2 O60674 7/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
JAK3 P52333 6/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 2/20 0.35
BRD4 O60885 2/20 0.34
RET P07949 1/20 0.34
FLT3 P36888 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
YES1 P07947 1/20 0.34
PDGFRB P09619 1/20 0.34
EPHB4 P54760 1/20 0.34
MERTK Q12866 1/20 0.33
CDK1 P06493 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
CHEK2 O96017 1/20 0.32

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
SCHEMBL3965200 0.89 AXL (0.41) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3969743 0.89 AXL (0.42) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3971087 0.86 AXL (0.41) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3967985 0.85 AXL (0.39) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3967433 0.85 AXL (0.44) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3967639 0.85 AXL (0.39) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3964140 0.84 SRC (0.41) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3967352 0.83 CHEK1 (0.39) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3966066 0.83 AXL (0.41) AXLJAK2HDAC1HDAC6JAK3
SCHEMBL3965488 0.83 CHRNA1 (0.41) AXLJAK2HDAC1HDAC6JAK3

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