SCHEMBL6071031

SCHEMBL6071031

NC(=O)N1CCN(Cc2cc(Cl)cc(Nc3nccc(-c4ccnn4-c4ccccc4)n3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
NR3C2 P08235 2/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SYK P43405 6/20 0.39
PDGFRB P09619 2/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 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
SCHEMBL6069930 0.92 KDR (0.52) KDRFLT1FLT4PKMNPSR1
SCHEMBL6070287 0.91 KDR (0.44) KDRFLT1FLT4PKMNPSR1
SCHEMBL6070240 0.90 KDR (0.54) KDRFLT1FLT4NR3C2SYK
SCHEMBL6070015 0.86 JAK2 (0.44) KDRFLT1FLT4SYKGSK3B
SCHEMBL6069836 0.85 FLT1 (0.40) KDRFLT1FLT4SYKPDGFRB
SCHEMBL6070077 0.83 JAK2 (0.45) KDRFLT1FLT4SYKGSK3B
SCHEMBL6070012 0.83 KDR (0.63) KDRFLT1FLT4PDGFRBABL1
SCHEMBL6069873 0.82 KDR (0.53) KDRFLT1FLT4SYKPDGFRB
SCHEMBL6070296 0.79 FLT1 (0.46) KDRFLT1FLT4SYK
SCHEMBL6070380 0.78 KDR (0.39) KDRFLT1FLT4SYKPDGFRB

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