SCHEMBL17306449

SCHEMBL17306449

c1ccc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.87
JAK2 O60674 4/20 0.71
MAP4K4 O95819 2/20 0.69
CDK2 P24941 2/20 0.69
CLK4 Q9HAZ1 2/20 0.69
MKNK2 Q9HBH9 2/20 0.69
IRAK4 Q9NWZ3 2/20 0.69
DCLK1 O15075 1/20 0.69
PRKD3 O94806 1/20 0.69
CHEK2 O96017 1/20 0.69
CSF1R P07333 1/20 0.69
FER P16591 1/20 0.69
MARK3 P27448 1/20 0.69
FLT4 P35916 1/20 0.69
FLT3 P36888 1/20 0.69
MAPK9 P45984 1/20 0.69
CSNK1D P48730 1/20 0.69
CLK2 P49760 1/20 0.69
CSNK2A1 P68400 1/20 0.69
CSNK1G2 P78368 1/20 0.69

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
SCHEMBL5508162 0.93 MKNK1 (1.00) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL17306477 0.93 MKNK1 (0.76) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL8437976 0.92 MKNK1 (0.74) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL5514698 0.87 MKNK1 (0.72) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL1513016 0.85 FGFR1 (0.71) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL17178615 0.84 ALDH1A1 (0.92) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL5514710 0.83 MKNK1 (0.63) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL12907246 0.83 JAK2 (1.00) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL3359889 0.83 JAK2 (1.00) MKNK1JAK2MAP4K4CDK2CLK4
SCHEMBL5516414 0.83 MKNK1 (0.62) MKNK1JAK2MAP4K4CDK2CLK4

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-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 WO disclosed