SCHEMBL6070034

SCHEMBL6070034

O=C(c1ccc(Nc2nccc(-c3ccnn3-c3ccccc3)n2)cc1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.55
IKBKB O14920 7/20 0.50
CHUK O15111 7/20 0.50
IKBKG Q9Y6K9 4/20 0.50
CDK2 P24941 4/20 0.50
CDK1 P06493 2/20 0.50
SYK P43405 1/20 0.49
PTK2 Q05397 1/20 0.47
CCNC P24863 2/20 0.47
CDK8 P49336 2/20 0.47
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
PRKCZ Q05513 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CCNT1 O60563 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK9 P50750 2/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL6069652 0.90 CDK2 (0.62) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL6070028 0.88 SYK (0.46) MKNK1IKBKBCHUKIKBKGCDK2
SCHEMBL6070502 0.88 CAMK2D (0.46) MKNK1IKBKBCHUKIKBKGSYK
SCHEMBL6069779 0.84 JAK2 (0.57) CDK2CDK1PTK2CDK8CCNT1
SCHEMBL6070155 0.84 CAMK2D (0.61) IKBKBCHUKIKBKGCDK2CCNT1
SCHEMBL6070419 0.81 AURKA (0.52) IKBKBCHUKIKBKGCDK2SYK
SCHEMBL6070706 0.79 CDK1 (0.51) CDK2CDK1SYK
SCHEMBL6070167 0.78 SYK (0.51) CDK2CDK1SYK
SCHEMBL14063912 0.78 IKBKB (0.64) MKNK1IKBKBCHUKCCNCCDK8
SCHEMBL3048434 0.77 IKBKB (0.66) MKNK1IKBKBCHUKCCNCCDK8

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