SCHEMBL6069930

SCHEMBL6069930

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
CDK2 P24941 7/20 0.44
IGF1R P08069 1/20 0.44
FLT3 P36888 8/20 0.43
CDK1 P06493 4/20 0.42
CCNB1 P14635 3/20 0.42
CDK9 P50750 4/20 0.41
CCNT1 O60563 3/20 0.41
CCNA2 P20248 3/20 0.41
SYK P43405 2/20 0.40
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
GSK3B P49841 1/20 0.40
CCNE1 P24864 2/20 0.40
CDK7 P50613 2/20 0.40

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
SCHEMBL6070287 0.92 KDR (0.44) KDRFLT1FLT4SYKABL1
SCHEMBL6071031 0.92 KDR (0.43) KDRFLT1FLT4SYKABL1
SCHEMBL6070012 0.91 KDR (0.63) KDRFLT1FLT4CDK2IGF1R
SCHEMBL6070015 0.88 JAK2 (0.44) KDRFLT1FLT4CDK2CDK9
SCHEMBL6070296 0.87 FLT1 (0.46) KDRFLT1FLT4CDK2IGF1R
SCHEMBL6069836 0.87 FLT1 (0.40) KDRFLT1FLT4SYKABL1
SCHEMBL6070077 0.85 JAK2 (0.45) KDRFLT1FLT4SYKGSK3B
SCHEMBL6070303 0.85 FLT1 (0.47) KDRFLT1FLT4CDK2IGF1R
SCHEMBL6070240 0.84 KDR (0.54) KDRFLT1FLT4FLT3SYK
SCHEMBL6069873 0.83 KDR (0.53) KDRFLT1FLT4FLT3SYK

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