SCHEMBL14063867

SCHEMBL14063867

CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(SCC(C)(C)CO)cc4)n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.46
▸ IKBKB O14920 6/20 0.46
▸ CHUK O15111 6/20 0.46
▸ IKBKG Q9Y6K9 5/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ SYK P43405 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ AURKA O14965 2/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CDK7 P50613 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ MTOR P42345 1/20 0.44
▸ SMG1 Q96Q15 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ JAK3 P52333 3/20 0.44

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
SCHEMBL8315467 0.91 IKBKB (0.52) JAK2IKBKBCHUKIKBKGPLK4
SCHEMBL8308567 0.90 IKBKB (0.50) JAK2IKBKBCHUKIKBKGCDK2
SCHEMBL8315465 0.89 HTT (0.46) JAK2IKBKBCHUKIKBKGCDK2
SCHEMBL8308936 0.89 CDK2 (0.47) JAK2IKBKBCHUKIKBKGCDK2
SCHEMBL8308468 0.88 SYK (0.47) JAK2IKBKBCHUKIKBKGCDK2
SCHEMBL8312435 0.87 IKBKB (0.51) JAK2IKBKBCHUKIKBKGCDK2
SCHEMBL5070979 0.87 IKBKB (0.47) JAK2IKBKBCHUKIKBKGCDK2
SCHEMBL14063873 0.87 SYK (0.47) JAK2IKBKBCHUKIKBKGCDK2
SCHEMBL14063869 0.87 CDK1 (0.44) JAK2IKBKBCHUKIKBKGCDK2
SCHEMBL8313335 0.86 IKBKB (0.49) JAK2IKBKBCHUKIKBKGCDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
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