SCHEMBL6070198

SCHEMBL6070198

CNC(=O)N1CCN(Cc2cc(Nc3nccc(-c4ccnn4-c4ccccc4)n3)cc(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
SYK P43405 8/20 0.39
GSK3B P49841 1/20 0.38
CDK2 P24941 5/20 0.38
CCNT1 O60563 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK9 P50750 2/20 0.38
IGF1R P08069 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
FAAH O00519 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
FLT3 P36888 1/20 0.36
LDLR P01130 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
PCSK9 Q8NBP7 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
SCHEMBL6070303 0.92 FLT1 (0.47) KDRFLT1FLT4GSK3BCDK2
SCHEMBL6070380 0.91 KDR (0.39) KDRFLT1FLT4SYKGSK3B
SCHEMBL6069873 0.87 KDR (0.53) KDRFLT1FLT4SYKGSK3B
SCHEMBL6069753 0.86 KCNH2 (0.43) KDRSYKGSK3BCDK2CDK9
SCHEMBL6070287 0.85 KDR (0.44) KDRFLT1FLT4SYKGSK3B
SCHEMBL6070296 0.83 FLT1 (0.46) KDRFLT1FLT4SYKCDK2
SCHEMBL6070012 0.79 KDR (0.63) KDRFLT1FLT4GSK3BCDK2
SCHEMBL6070240 0.78 KDR (0.54) KDRFLT1FLT4SYKGSK3B
SCHEMBL6070201 0.78 SYK (0.41) KDRSYKGSK3BCDK2CDK9
SCHEMBL6069930 0.77 KDR (0.52) KDRFLT1FLT4SYKGSK3B

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