SCHEMBL7639262

SCHEMBL7639262

CC(NCCN(C)C)c1nc2cccc(F)c2c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.47
PIK3CG P48736 7/20 0.47
PIK3CB P42338 5/20 0.47
PIK3CA P42336 4/20 0.47
PIK3R1 P27986 3/20 0.47
CXCR3 P49682 9/20 0.47
PIK3R2 O00459 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
SCHEMBL7144891 0.86 CXCR3 (0.62) CXCR3
SCHEMBL5156390 0.77 CXCR3 (0.46) PIK3CDPIK3CGCXCR3
SCHEMBL14621242 0.74 CXCR3 (0.79) CXCR3
SCHEMBL9067778 0.74 CXCR3 (0.59) CXCR3
SCHEMBL15812952 0.72 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL20061285 0.72 PIK3CG (0.57) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL16677349 0.71 PIK3CG (0.68) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL16677764 0.71 PIK3CG (0.68) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL16677254 0.71 PIK3CG (0.68) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL15870097 0.71 PIK3CG (0.56) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1

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-1216232-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR MODULATING CXCR3 FUNCTION Chemocentryx, Inc. (US) 2002-06-26 EP disclosed
WO-2001016114-A2 HETEROCYCLIC COMPOUNDS AND METHODS FOR MODULATING CXCR3 FUNCTION CHEMOCENTRYX, INC. (US) 2001-03-08 WO disclosed