SCHEMBL4378403

SCHEMBL4378403

O=c1c(NCCc2ccccc2)c(Nc2ccnc(Nc3cccnc3)c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FES P07332 1/20 0.52
FGFR1 P11362 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
MAPKAPK2 P49137 8/20 0.49
HTR7 P34969 2/20 0.43
CSNK2A1 P68400 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
BUB1 O43683 3/20 0.42
BCL6 P41182 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 0.89 FLT4 (0.65) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL4369661 0.88 MAPKAPK2 (0.61) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL4379546 0.84 MAPKAPK2 (0.59) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL4378366 0.83 MAPKAPK2 (0.62) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL4368146 0.81 CHEK1 (0.53) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL16097036 0.79 JAK3 (0.52) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL4027877 0.79 FES (0.77) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL4366404 0.78 FES (0.56) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL4370740 0.78 FLT4 (0.56) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL16096866 0.78 EGFR (0.50) FESFGFR1FLT4KDRMAPKAPK2

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