SCHEMBL4378366

SCHEMBL4378366

O=c1c(NCCc2ccccc2)c(Nc2ccnc(Nc3ccncn3)c2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.62
FLT4 P35916 2/20 0.54
FES P07332 1/20 0.54
FGFR1 P11362 1/20 0.54
KDR P35968 1/20 0.54
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
HTR7 P34969 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHEK1 O14757 2/20 0.40
DAPK3 O43293 2/20 0.40
RPS6KA5 O75582 2/20 0.40
CHEK2 O96017 2/20 0.40
PRKACA P17612 2/20 0.40
RPS6KB1 P23443 2/20 0.40
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
GSK3A P49840 2/20 0.40

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) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4369661 0.86 MAPKAPK2 (0.61) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4379546 0.84 MAPKAPK2 (0.59) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4378403 0.83 FES (0.52) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4364173 0.80 FLT4 (0.79) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4368146 0.79 CHEK1 (0.53) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4366404 0.78 FES (0.56) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4370740 0.78 FLT4 (0.56) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL16096866 0.78 EGFR (0.50) MAPKAPK2FLT4FESFGFR1KDR
SCHEMBL4371065 0.77 MAPKAPK2 (1.00) MAPKAPK2CHEK2GSK3AGSK3BROCK1

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 disclosed