SCHEMBL14063846

SCHEMBL14063846

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ CDK2 P24941 2/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ IKBKB O14920 4/20 0.48
▸ CHUK O15111 3/20 0.48
▸ MAPKAPK2 P49137 1/20 0.48
▸ JAK2 O60674 9/20 0.47
▸ JAK3 P52333 7/20 0.47
▸ CAMK2D Q13557 4/20 0.47
▸ IKBKG Q9Y6K9 1/20 0.47
▸ 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
SCHEMBL14021080 0.90 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL14063844 0.88 PIK3CA (0.54) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL14063837 0.88 CDK2 (0.52) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL14063842 0.88 JAK2 (0.52) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL8312148 0.87 CDK1 (0.62) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL1512786 0.87 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL14021380 0.87 PIK3CA (0.50) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL8311018 0.87 JAK2 (0.61) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL14063849 0.86 PIK3CA (0.48) PIK3CAPIK3CBPIK3CGCDK2CDK1
SCHEMBL8311019 0.86 PIK3CA (0.48) PIK3CAPIK3CBPIK3CGCDK2CDK1

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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