SCHEMBL4379546

SCHEMBL4379546

O=c1c(NCCc2ccccc2)c(Nc2ccnc(Nc3ncccn3)c2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.59
FES P07332 1/20 0.53
FGFR1 P11362 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
HTR7 P34969 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PLAU P00749 1/20 0.43
MAPK8 P45983 1/20 0.43
LIMK1 P53667 1/20 0.43
MST1R Q04912 1/20 0.43
MAPK14 Q16539 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ALK Q9UM73 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
BUB1 O43683 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 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
SCHEMBL4365656 0.88 FLT4 (0.65) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL4369661 0.85 MAPKAPK2 (0.61) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL4378366 0.84 MAPKAPK2 (0.62) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL4378403 0.84 FES (0.52) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL4368146 0.83 CHEK1 (0.53) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL4366404 0.82 FES (0.56) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL4370740 0.82 FLT4 (0.56) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL16096866 0.81 EGFR (0.50) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL16095356 0.79 FYN (0.44) MAPKAPK2FESFGFR1FLT4KDR
SCHEMBL16097036 0.79 JAK3 (0.52) MAPKAPK2FESFGFR1FLT4KDR

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-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO claimed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed