SCHEMBL2950064

SCHEMBL2950064

Nc1nc(N)c2nc(C3CCC(N4CCOCC4)CC3)[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
IRAK4 Q9NWZ3 7/20 0.35
IRAK2 O43187 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
IRAK1 P51617 1/20 0.35
HASPIN Q8TF76 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
IRAK3 Q9Y616 1/20 0.35
KDR P35968 3/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
FGFR3 P22607 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL2949856 0.84 DHFR (0.33) PTPN1
SCHEMBL15941616 0.82 MAPT (0.33) PARP1
SCHEMBL17352600 0.76 KDM4E (0.38) PARP1
SCHEMBL2954548 0.75 KDM4E (0.40) HRH3
Hydrochloric Acid SCHEMBL5626676 0.75
SCHEMBL2953203 0.74 PDE8B (0.34)
SCHEMBL17822225 0.73 GAA (0.39)
SCHEMBL2952916 0.73
SCHEMBL2948866 0.71 PARP1 (0.39) IRAK4KDRRETPARP1MAPK8
SCHEMBL28301992 0.69 PARP1 (0.43) PARP1

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed