SCHEMBL14063873

SCHEMBL14063873

CN(C)CCCN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(SCC(C)(C)CO)cc4)n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.47
▸ CDK1 P06493 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ IKBKB O14920 7/20 0.43
▸ CHUK O15111 7/20 0.43
▸ IKBKG Q9Y6K9 7/20 0.43
▸ JAK2 O60674 5/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ PTK2 Q05397 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ KDR P35968 1/20 0.40

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
SCHEMBL14063864 0.89 IKBKB (0.47) SYKCDK1CDK2IKBKBCHUK
SCHEMBL14063867 0.87 JAK2 (0.46) SYKCDK1CDK2IKBKBCHUK
SCHEMBL8308567 0.85 IKBKB (0.50) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL14021298 0.85 SYK (0.52) SYKCDK1CDK2IKBKBCHUK
SCHEMBL8308468 0.85 SYK (0.47) SYKCDK1CDK2IKBKBCHUK
SCHEMBL8315467 0.84 IKBKB (0.52) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL14063869 0.84 CDK1 (0.44) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL8315465 0.82 HTT (0.46) CDK1CDK2IKBKBCHUKIKBKG
SCHEMBL14063895 0.82 SYK (0.50) SYKCDK1CDK2IKBKBCHUK
SCHEMBL14063914 0.81 SYK (0.52) SYKCDK1CDK2IKBKBCHUK

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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