SCHEMBL8313329

SCHEMBL8313329

O=C(CN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(I)cc4)n3)cc2)CC1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.53
▸ IKBKB O14920 5/20 0.51
▸ CHUK O15111 5/20 0.51
▸ IKBKG Q9Y6K9 5/20 0.51
▸ MTOR P42345 1/20 0.50
▸ SMG1 Q96Q15 1/20 0.50
▸ ACVR1 Q04771 1/20 0.47
▸ JAK2 O60674 5/20 0.46
▸ JAK3 P52333 3/20 0.46
▸ CDK1 P06493 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CAMK2D Q13557 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ NCOR1 O75376 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 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
SCHEMBL14063781 0.91 SYK (0.53) SYKIKBKBCHUKIKBKGMTOR
SCHEMBL8313908 0.87 JAK2 (0.48) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL13911604 0.87 JAK2 (0.59) SYKIKBKBCHUKIKBKGACVR1
SCHEMBL8313306 0.86 JAK2 (0.47) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL8308468 0.84 SYK (0.47) SYKIKBKBCHUKIKBKGMTOR
SCHEMBL8312171 0.84 IKBKB (0.54) SYKIKBKBCHUKMTORSMG1
SCHEMBL8308246 0.83 SYK (0.55) SYKSMG1ACVR1JAK2JAK3
SCHEMBL8311902 0.83 IKBKB (0.50) SYKIKBKBCHUKIKBKGMTOR
SCHEMBL8311756 0.81 IKBKB (0.56) SYKIKBKBCHUKIKBKGMTOR
SCHEMBL4392408 0.80 PIK3CA (0.51) IKBKBCHUKIKBKGMTORSMG1

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
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