SCHEMBL4752976

SCHEMBL4752976

C=CCCOc1cc(-c2nc(Nc3ccc(OCCN4CCCC4)c(COCC=C)c3)ncc2C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.46
MAP3K7 O43318 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
SRC P12931 6/20 0.40
EPHB4 P54760 2/20 0.40
JAK1 P23458 5/20 0.38
BRD4 O60885 4/20 0.38
HDAC1 Q13547 2/20 0.38
JAK2 O60674 8/20 0.38
JAK3 P52333 6/20 0.38
BRDT Q58F21 2/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
FLT3 P36888 5/20 0.37
TYK2 P29597 3/20 0.37
RET P07949 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
BRAF P15056 2/20 0.37
LCK P06239 2/20 0.37

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
SCHEMBL14022855 0.90 AXL (0.51) AXLMAP3K7IRAK4SRCEPHB4
SCHEMBL4749275 0.88 ABL1 (0.39) AXLSRCEPHB4JAK2JAK3
SCHEMBL4752216 0.84 IGF1R (0.39) SRCEPHB4JAK2JAK3SYK
SCHEMBL14023511 0.78 ABL1 (0.40) AXLJAK1JAK2JAK3FLT3
SCHEMBL4751809 0.77 ABL1 (0.42) AXLJAK2JAK3RETBRAF
SCHEMBL1098622 0.75 ABL1 (0.40) AXLJAK1JAK2JAK3FLT3
SCHEMBL14022857 0.74 IGF1R (0.40) AXLSRCJAK2JAK3RET
SCHEMBL1098894 0.74 SYK (0.40) AXLJAK1JAK2JAK3FLT3
SCHEMBL1098407 0.74 ABL1 (0.43) AXLSRCJAK2JAK3RET
SCHEMBL18532076 0.74 ABL1 (0.39) AXLJAK1JAK2JAK3FLT3

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-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed