SCHEMBL8312419

SCHEMBL8312419

Cc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.56
CHUK O15111 8/20 0.56
IKBKG Q9Y6K9 8/20 0.56
MEN1 O00255 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
PRKCZ Q05513 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
JAK2 O60674 6/20 0.53
JAK1 P23458 5/20 0.53
JAK3 P52333 5/20 0.53
SYK P43405 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CDK2 P24941 2/20 0.50
CDK1 P06493 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MTOR P42345 1/20 0.49
SMG1 Q96Q15 1/20 0.49

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
SCHEMBL14021292 0.91 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL8311756 0.90 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL14063722 0.90 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL14021564 0.88 MTOR (0.60) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL8205109 0.85 CDK2 (0.55) IKBKBCHUKIKBKGJAK2JAK1
SCHEMBL14021571 0.85 CDK1 (0.66) IKBKBCHUKIKBKGJAK2JAK1
SCHEMBL14021606 0.85 IKBKB (0.53) IKBKBCHUKIKBKGJAK2JAK1
SCHEMBL8247959 0.84 IKBKB (0.63) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL8312503 0.84 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL5070960 0.83 IKBKB (0.64) IKBKBCHUKIKBKGMEN1RECQL

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-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed