SCHEMBL4362297

SCHEMBL4362297

COc1cccc(-c2cccc(CCNc3c(Nc4ccncc4)c(=O)c3=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 2/20 0.60
FES P07332 1/20 0.60
FGFR1 P11362 1/20 0.60
KDR P35968 1/20 0.60
PRKACA P17612 6/20 0.53
RPS6KB1 P23443 6/20 0.53
GSK3A P49840 6/20 0.53
GSK3B P49841 6/20 0.53
RPS6KA3 P51812 6/20 0.53
ROCK1 Q13464 6/20 0.53
CDC42BPA Q5VT25 6/20 0.53
AURKB Q96GD4 6/20 0.53
CSNK1G3 Q9Y6M4 6/20 0.53
ERBB2 P04626 1/20 0.53
IRAK1 P51617 1/20 0.53
MAPKAPK2 P49137 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
CHEK2 O96017 5/20 0.47

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
SCHEMBL4366810 0.87 FLT4 (0.64) FLT4FESFGFR1KDRPRKACA
SCHEMBL4363947 0.85 ROCK1 (0.58) FLT4FESFGFR1KDRPRKACA
SCHEMBL4368765 0.84 FLT4 (0.55) FLT4FESFGFR1KDRPRKACA
SCHEMBL4366553 0.83 PRKACA (0.58) FLT4FESFGFR1KDRPRKACA
SCHEMBL4370776 0.81 FLT4 (0.50) FLT4FESFGFR1KDRPRKACA
SCHEMBL4366873 0.81 FLT4 (0.54) FLT4FESFGFR1KDRPRKACA
SCHEMBL4369771 0.81 FLT4 (0.52) FLT4FESFGFR1KDRPRKACA
SCHEMBL4374247 0.81 FLT4 (0.59) FLT4FESFGFR1KDRPRKACA
SCHEMBL30672995 0.80 CNR1 (0.58) FLT4FESFGFR1KDRMEN1
SCHEMBL4371907 0.80 FLT4 (0.55) FLT4FESFGFR1KDRPRKACA

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