SCHEMBL4368161

SCHEMBL4368161

O=c1c(NCCc2ccc(-c3ccsc3)cc2)c(Nc2ccncc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 3/20 0.58
FES P07332 1/20 0.58
FGFR1 P11362 1/20 0.58
KDR P35968 1/20 0.58
CYP17A1 P05093 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
ROCK1 Q13464 9/20 0.48
AURKB Q96GD4 8/20 0.48
GSK3A P49840 8/20 0.48
GSK3B P49841 8/20 0.48
CDC42BPA Q5VT25 8/20 0.48
CSNK1G3 Q9Y6M4 8/20 0.48
PRKACA P17612 7/20 0.48
RPS6KB1 P23443 7/20 0.48
RPS6KA3 P51812 7/20 0.48
CHEK2 O96017 7/20 0.48
PKN2 Q16513 7/20 0.48
CHEK1 O14757 7/20 0.48
PRKG1 Q13976 6/20 0.48

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
SCHEMBL4369771 0.87 FLT4 (0.52) FLT4FESFGFR1KDRCYP17A1
SCHEMBL4364802 0.87 FLT4 (0.58) FLT4FESFGFR1KDRROCK1
SCHEMBL4378176 0.84 FLT4 (0.76) FLT4FESFGFR1KDRROCK1
SCHEMBL4376009 0.82 FLT4 (0.71) FLT4FESFGFR1KDRROCK1
SCHEMBL4365519 0.79 FLT4 (0.58) FLT4FESFGFR1KDRROCK1
SCHEMBL4374223 0.79 FLT4 (0.67) FLT4FESFGFR1KDRROCK1
SCHEMBL4369721 0.79 GSK3A (0.75) FLT4FESFGFR1KDRROCK1
SCHEMBL4364003 0.79 FLT4 (0.67) FLT4FESFGFR1KDRROCK1
SCHEMBL4366760 0.79 FLT4 (0.67) FLT4FESFGFR1KDRROCK1
SCHEMBL4366261 0.79 ROCK1 (0.75) FLT4FESFGFR1KDRROCK1

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