SCHEMBL6069836

SCHEMBL6069836

CN1CCN(Cc2cc(Cl)cc(Nc3nccc(-c4ccnn4-c4ccccc4)n3)c2)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
JAK2 O60674 6/20 0.40
JAK3 P52333 4/20 0.40
GSK3B P49841 1/20 0.39
SYK P43405 6/20 0.38
PDGFRB P09619 2/20 0.37
MAPK1 P28482 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
AIMP2 Q13155 1/20 0.37
LDLR P01130 1/20 0.36
KIT P10721 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
MAPK3 P27361 1/20 0.36
CAMK2D Q13557 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL6070891 0.92 KDR (0.49) FLT1FLT4KDRJAK2JAK3
SCHEMBL6069930 0.87 KDR (0.52) FLT1FLT4KDRJAK2JAK3
SCHEMBL6070015 0.86 JAK2 (0.44) FLT1FLT4KDRJAK2JAK3
SCHEMBL6070287 0.85 KDR (0.44) FLT1FLT4KDRJAK2JAK3
SCHEMBL6071031 0.85 KDR (0.43) FLT1FLT4KDRJAK2JAK3
SCHEMBL6070077 0.83 JAK2 (0.45) FLT1FLT4KDRJAK2JAK3
SCHEMBL6070012 0.78 KDR (0.63) FLT1FLT4KDRJAK2JAK3
SCHEMBL6070240 0.77 KDR (0.54) FLT1FLT4KDRJAK2JAK3
SCHEMBL6070209 0.77 KDR (0.48) FLT1FLT4KDRJAK2JAK3
SCHEMBL6069873 0.77 KDR (0.53) FLT1FLT4KDRJAK2JAK3

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
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed