SCHEMBL6070296

SCHEMBL6070296

CC(=O)N1CCN(Cc2cc(Nc3nccc(-c4ccnn4-c4ccccc4)n3)cc(Cl)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
CDK2 P24941 7/20 0.44
IGF1R P08069 2/20 0.44
FLT3 P36888 11/20 0.43
CDK1 P06493 5/20 0.42
CCNB1 P14635 4/20 0.42
CDK9 P50750 4/20 0.41
CCNT1 O60563 3/20 0.41
CCNA2 P20248 3/20 0.41
CCNE1 P24864 2/20 0.40
CDK7 P50613 2/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
SYK P43405 2/20 0.40
AURKA O14965 1/20 0.40
CDK4 P11802 1/20 0.40
AURKB Q96GD4 1/20 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
SCHEMBL6070380 0.92 KDR (0.39) FLT1FLT4KDRCDK2IGF1R
SCHEMBL6070303 0.91 FLT1 (0.47) FLT1FLT4KDRCDK2IGF1R
SCHEMBL6070201 0.88 SYK (0.41) KDRCDK2CDK9SYKAURKA
SCHEMBL6069930 0.87 KDR (0.52) FLT1FLT4KDRCDK2IGF1R
SCHEMBL6070012 0.85 KDR (0.63) FLT1FLT4KDRCDK2IGF1R
SCHEMBL6070198 0.83 KDR (0.39) FLT1FLT4KDRCDK2IGF1R
SCHEMBL6070287 0.79 KDR (0.44) FLT1FLT4KDRSYK
SCHEMBL6071031 0.79 KDR (0.43) FLT1FLT4KDRSYK
SCHEMBL6069753 0.79 KCNH2 (0.43) KDRCDK2CDK9SYKAURKA
SCHEMBL6070240 0.77 KDR (0.54) FLT1FLT4KDRFLT3SYK

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