SCHEMBL4083891

SCHEMBL4083891

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1ccc(-c2c(C)nn(C)c2C)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.55
JAK3 P52333 8/20 0.51
JAK2 O60674 7/20 0.51
JAK1 P23458 6/20 0.51
BRD4 O60885 5/20 0.51
HDAC1 Q13547 3/20 0.51
TYK2 P29597 3/20 0.51
RET P07949 2/20 0.51
FLT3 P36888 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
BRDT Q58F21 2/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
SRC P12931 7/20 0.45
LCK P06239 3/20 0.45
KDR P35968 3/20 0.45
TEK Q02763 3/20 0.45
BRAF P15056 2/20 0.45
ABL1 P00519 2/20 0.45

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
SCHEMBL3966017 0.88 AXL (0.58) AXLJAK3JAK2JAK1BRD4
SCHEMBL3968117 0.86 AXL (0.62) AXLJAK3JAK2JAK1BRD4
SCHEMBL4078667 0.86 AXL (0.55) AXLJAK3JAK2JAK1BRD4
SCHEMBL3973039 0.86 SRC (0.58) AXLJAK3JAK2JAK1BRD4
SCHEMBL3969809 0.85 AXL (0.55) AXLJAK3JAK2JAK1BRD4
SCHEMBL13881537 0.85 AXL (0.60) AXLJAK3JAK2JAK1BRD4
SCHEMBL3971086 0.84 AXL (0.56) AXLJAK3JAK2JAK1BRD4
SCHEMBL13881557 0.84 AXL (0.60) AXLJAK3JAK2JAK1BRD4
SCHEMBL13881535 0.84 AXL (0.59) AXLJAK3JAK2JAK1BRD4
SCHEMBL13881483 0.84 AXL (0.64) AXLJAK3JAK2JAK1BRD4

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