SCHEMBL3971085

SCHEMBL3971085

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1ccc(Nc2ccc(OCCC3CCCN3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.51
JAK2 O60674 9/20 0.47
JAK3 P52333 7/20 0.47
JAK1 P23458 6/20 0.47
TYK2 P29597 3/20 0.47
BRD4 O60885 5/20 0.47
HDAC1 Q13547 3/20 0.47
RET P07949 2/20 0.47
FLT3 P36888 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BRDT Q58F21 2/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
SRC P12931 9/20 0.42
BRAF P15056 2/20 0.42
YES1 P07947 2/20 0.42
KDR P35968 2/20 0.42
EPHB4 P54760 2/20 0.42
BMPR1B O00238 1/20 0.42

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
SCHEMBL3971087 0.94 AXL (0.41) AXLJAK2JAK3JAK1TYK2
SCHEMBL3965488 0.91 CHRNA1 (0.41) AXLJAK2JAK3JAK1TYK2
SCHEMBL13881537 0.89 AXL (0.60) AXLJAK2JAK3JAK1TYK2
SCHEMBL3969743 0.88 AXL (0.42) AXLJAK2JAK3JAK1TYK2
SCHEMBL13881459 0.86 AXL (0.57) AXLJAK2JAK3JAK1TYK2
SCHEMBL3967433 0.85 AXL (0.44) AXLJAK2JAK3JAK1TYK2
SCHEMBL4251371 0.84 JAK2 (0.39) AXLJAK2JAK3JAK1TYK2
SCHEMBL3968117 0.84 AXL (0.62) AXLJAK2JAK3JAK1TYK2
SCHEMBL3966066 0.84 AXL (0.41) AXLJAK2JAK3JAK1TYK2
SCHEMBL3965200 0.83 AXL (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 1 patent. 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 disclosed