SCHEMBL8312167

SCHEMBL8312167

O=C(CCN1CCCCC1)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ MTOR P42345 1/20 0.49
▸ SMG1 Q96Q15 1/20 0.49
▸ IKBKB O14920 4/20 0.48
▸ CHUK O15111 3/20 0.48
▸ IKBKG Q9Y6K9 2/20 0.48
▸ PIK3CA P42336 2/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ GRM5 P41594 4/20 0.46
▸ MAPKAPK2 P49137 1/20 0.45
▸ AIMP2 Q13155 1/20 0.45
▸ SYK P43405 1/20 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
SCHEMBL14021310 0.90 SYK (0.53) JAK2JAK3MTORSMG1IKBKB
SCHEMBL11924733 0.88 MTOR (0.60) JAK2JAK3MTORSMG1IKBKB
SCHEMBL14021190 0.88 MTOR (0.60) JAK2JAK3MTORSMG1IKBKB
SCHEMBL14063781 0.88 SYK (0.53) JAK2JAK3MTORSMG1IKBKB
SCHEMBL3049760 0.86 SYK (0.51) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14021629 0.86 JAK2 (0.54) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14021080 0.85 PIK3CA (0.52) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14021287 0.85 IKBKB (0.54) JAK2JAK3MTORSMG1IKBKB
SCHEMBL14063849 0.85 PIK3CA (0.48) JAK2JAK3SMG1IKBKBCHUK
SCHEMBL8311019 0.85 PIK3CA (0.48) JAK2JAK3IKBKBCHUKIKBKG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 — — EP 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
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
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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