SCHEMBL14063774

SCHEMBL14063774

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.49
▸ CDK19 Q9BWU1 1/20 0.49
▸ JAK2 O60674 8/20 0.47
▸ JAK3 P52333 6/20 0.47
▸ IKBKB O14920 4/20 0.44
▸ CHUK O15111 3/20 0.44
▸ IKBKG Q9Y6K9 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ BMPR1B O00238 1/20 0.43
▸ PLK4 O00444 1/20 0.43

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
SCHEMBL14063778 0.91 JAK2 (0.51) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL4063691 0.89 JAK2 (0.52) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14021306 0.88 SYK (0.54) CDC7CDK19JAK2JAK3IKBKB
SCHEMBL14021327 0.87 JAK2 (0.49) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14021298 0.87 SYK (0.52) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14063777 0.87 JAK2 (0.49) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL13590765 0.85 JAK2 (0.51) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14021233 0.85 CDK1 (0.49) JAK2JAK3IKBKBCHUKIKBKG
SCHEMBL14063849 0.85 PIK3CA (0.48) CDC7CDK19JAK2JAK3IKBKB
SCHEMBL4392408 0.84 PIK3CA (0.51) 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 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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