SCHEMBL14063856

SCHEMBL14063856

O=C(c1ccc(Nc2nccc(-c3ccc(SCCO)cc3)n2)cc1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 11/20 0.53
▸ CHUK O15111 11/20 0.53
▸ MKNK1 Q9BUB5 4/20 0.50
▸ MKNK2 Q9HBH9 5/20 0.48
▸ DYRK2 Q92630 1/20 0.47
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ JAK2 O60674 1/20 0.46

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
SCHEMBL8165798 0.95 IKBKB (0.51) IKBKBCHUKMKNK1MKNK2DYRK2
SCHEMBL8314446 0.94 IKBKB (0.51) IKBKBCHUKMKNK1MKNK2DYRK2
SCHEMBL8312555 0.90 IKBKB (0.52) IKBKBCHUKMKNK1MKNK2DYRK2
SCHEMBL8308936 0.89 CDK2 (0.47) IKBKBCHUKCDK8JAK2
SCHEMBL8315467 0.88 IKBKB (0.52) IKBKBCHUKMKNK1MKNK2DYRK2
SCHEMBL8308363 0.87 IKBKB (0.50) IKBKBCHUKMKNK1MKNK2DYRK2
SCHEMBL8308375 0.85 JAK2 (0.47) IKBKBCHUKJAK2
SCHEMBL5070979 0.84 IKBKB (0.47) IKBKBCHUKJAK2
SCHEMBL3048434 0.84 IKBKB (0.66) IKBKBCHUKMKNK1MKNK2DYRK2
SCHEMBL14021011 0.84 MKNK2 (0.65) IKBKBCHUKMKNK1MKNK2DYRK2

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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