SCHEMBL13440925

SCHEMBL13440925

N#CCc1cccc(-c2cc(OC3CCNCC3)c3cnccc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.53
CHUK O15111 9/20 0.53
ROCK1 Q13464 3/20 0.48
LCK P06239 2/20 0.48
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
TNF P01375 1/20 0.41
LRRK2 Q5S007 1/20 0.40
AKT1 P31749 1/20 0.39
HRH1 P35367 1/20 0.38
PIM1 P11309 3/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
SYK P43405 1/20 0.37

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
SCHEMBL13442183 0.89 IKBKB (0.51) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL13440921 0.87 IKBKB (0.69) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL2424475 0.86 IKBKB (0.51) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL13087950 0.83 IKBKB (0.54) IKBKBCHUKTNFLRRK2
SCHEMBL13087895 0.83 IKBKB (0.44) IKBKBCHUKTNFLRRK2
SCHEMBL13087922 0.83 IKBKB (0.46) IKBKBCHUKTNFLRRK2
SCHEMBL15172428 0.83 PRKCZ (0.46) IKBKBCHUKTNF
SCHEMBL12326819 0.82 IKBKB (0.64) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL13442184 0.82 IKBKB (0.49) IKBKBCHUKROCK1LCKMKNK1
SCHEMBL12327902 0.80 IKBKB (0.51) IKBKBCHUKROCK1LCKMKNK1

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
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed