SCHEMBL14063837

SCHEMBL14063837

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.52
▸ PIK3CA P42336 2/20 0.49
▸ PIK3CB P42338 2/20 0.49
▸ PIK3CG P48736 2/20 0.49
▸ IKBKB O14920 5/20 0.49
▸ CHUK O15111 4/20 0.49
▸ IKBKG Q9Y6K9 2/20 0.49
▸ CDK1 P06493 1/20 0.48
▸ JAK2 O60674 7/20 0.47
▸ JAK3 P52333 6/20 0.47
▸ MAPKAPK2 P49137 1/20 0.47
▸ CAMK2D Q13557 4/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ NCOR1 O75376 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 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
SCHEMBL14021380 0.92 PIK3CA (0.50) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL14063849 0.91 PIK3CA (0.48) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL14021080 0.90 PIK3CA (0.52) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL14063843 0.89 IKBKB (0.47) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL14063846 0.88 PIK3CA (0.50) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL14021306 0.87 SYK (0.54) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL14063844 0.87 PIK3CA (0.54) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL14063842 0.87 JAK2 (0.52) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL8312148 0.86 CDK1 (0.62) CDK2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL1512786 0.86 PIK3CA (0.55) CDK2PIK3CAPIK3CBPIK3CGIKBKB

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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