SCHEMBL17375329

SCHEMBL17375329

CCCCN(C(=O)O)C(C)c1nc2cccc(CCC(N)=O)c2c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.56
CXCR3 P49682 9/20 0.51
HDAC6 Q9UBN7 5/20 0.44
PIK3CB P42338 4/20 0.44
PIK3CG P48736 4/20 0.44
PIK3CA P42336 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL17458368 0.83 PIK3CD (0.66) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL17458370 0.83 PIK3CD (0.66) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL17458210 0.79 PIK3CD (0.69) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL23912254 0.76 PIK3CD (0.55) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL15813008 0.75 PIK3CD (0.54) PIK3CDCXCR3HDAC6PIK3CBPIK3CG
SCHEMBL15813010 0.75 PIK3CD (0.54) PIK3CDCXCR3HDAC6PIK3CBPIK3CG
SCHEMBL17458227 0.75 PIK3CD (0.64) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL17458224 0.75 PIK3CD (0.64) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL17461939 0.74 PIK3CD (0.62) PIK3CDHDAC6PIK3CBPIK3CGPIK3CA
SCHEMBL8437614 0.72 CXCR3 (0.65) CXCR3

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
EP-3160960-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2017-05-03 EP disclosed
WO-2015200352-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-30 WO disclosed