SCHEMBL6069873

SCHEMBL6069873

CNC(=O)N1CCN(Cc2cc(C)cc(Nc3nccc(-c4ccnn4-c4ccccc4)n3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.53
FLT1 P17948 2/20 0.53
FLT4 P35916 2/20 0.53
GSK3B P49841 1/20 0.41
FAAH O00519 5/20 0.41
PDGFRB P09619 2/20 0.40
LDLR P01130 1/20 0.40
KIT P10721 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
JAK2 O60674 4/20 0.39
JAK3 P52333 4/20 0.39
SYK P43405 6/20 0.39
FLT3 P36888 2/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL6070012 0.92 KDR (0.63) KDRFLT1FLT4GSK3BPDGFRB
SCHEMBL6070287 0.91 KDR (0.44) KDRFLT1FLT4GSK3BFAAH
SCHEMBL6070240 0.91 KDR (0.54) KDRFLT1FLT4GSK3BFAAH
SCHEMBL6070198 0.87 KDR (0.39) KDRFLT1FLT4GSK3BFAAH
SCHEMBL6070209 0.86 KDR (0.48) KDRFLT1FLT4GSK3BKIT
SCHEMBL6070385 0.85 KDR (0.45) KDRFLT1FLT4GSK3BKIT
SCHEMBL6070891 0.85 KDR (0.49) KDRFLT1FLT4GSK3BPDGFRB
SCHEMBL6070380 0.85 KDR (0.39) KDRFLT1FLT4GSK3BFAAH
SCHEMBL6069930 0.83 KDR (0.52) KDRFLT1FLT4GSK3BPDGFRB
SCHEMBL6071031 0.82 KDR (0.43) KDRFLT1FLT4GSK3BFAAH

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