SCHEMBL14063781

SCHEMBL14063781

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.53
▸ IKBKB O14920 3/20 0.51
▸ CHUK O15111 2/20 0.51
▸ IKBKG Q9Y6K9 1/20 0.51
▸ MTOR P42345 1/20 0.50
▸ SMG1 Q96Q15 1/20 0.50
▸ MRGPRX1 Q96LB2 1/20 0.49
▸ PIK3CA P42336 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ GRM5 P41594 4/20 0.48
▸ JAK2 O60674 4/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ ACVR1 Q04771 1/20 0.47
▸ CDK1 P06493 1/20 0.45
▸ CDK2 P24941 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
SCHEMBL8308246 0.92 SYK (0.55) SYKSMG1JAK2JAK3ACVR1
SCHEMBL8313329 0.91 SYK (0.53) SYKIKBKBCHUKIKBKGMTOR
SCHEMBL4392408 0.90 PIK3CA (0.51) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL11924733 0.90 MTOR (0.60) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL14021190 0.90 MTOR (0.60) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL14063782 0.89 JAK2 (0.52) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL13590765 0.89 JAK2 (0.51) IKBKBCHUKIKBKGPIK3CAPIK3CB
SCHEMBL14021219 0.88 PIK3CA (0.58) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL14021310 0.88 SYK (0.53) SYKIKBKBCHUKIKBKGMTOR
SCHEMBL8312167 0.88 JAK2 (0.49) SYKIKBKBCHUKIKBKGMTOR

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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