SCHEMBL3967418

SCHEMBL3967418

COc1cccc(OC(C)C)c1-c1ccc(-c2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.51
SRC P12931 7/20 0.50
JAK3 P52333 7/20 0.47
JAK2 O60674 6/20 0.47
JAK1 P23458 6/20 0.47
BRD4 O60885 5/20 0.47
TYK2 P29597 3/20 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 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
LCK P06239 4/20 0.46
KDR P35968 4/20 0.46
IGF1R P08069 4/20 0.46
FGFR1 P11362 3/20 0.46
TEK Q02763 3/20 0.46

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
SCHEMBL3969809 0.94 AXL (0.55) AXLSRCJAK3JAK2JAK1
SCHEMBL3965819 0.89 AXL (0.52) AXLSRCJAK3JAK2JAK1
SCHEMBL3966017 0.87 AXL (0.58) AXLSRCJAK3JAK2JAK1
SCHEMBL3967578 0.87 AXL (0.53) AXLSRCJAK3JAK2JAK1
SCHEMBL13881584 0.86 AXL (0.56) AXLSRCJAK3JAK2JAK1
SCHEMBL13881557 0.84 AXL (0.60) AXLSRCJAK3JAK2JAK1
SCHEMBL3968117 0.82 AXL (0.62) AXLSRCJAK3JAK2JAK1
SCHEMBL3971225 0.82 AXL (0.61) AXLSRCJAK3JAK2JAK1
SCHEMBL3971111 0.81 AXL (0.55) AXLSRCJAK3JAK2JAK1
SCHEMBL3969938 0.81 AXL (0.56) AXLSRCJAK3JAK2JAK1

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 3 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
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed