SCHEMBL7614980

SCHEMBL7614980

COC(=O)c1c(C#N)ccc(NC(=NC#N)Nc2ccccc2Br)c1O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.54
CXCR1 P25024 13/20 0.54
ADRB3 P13945 1/20 0.43
TSPO P30536 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM5A P29375 1/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7614978 1.00 CXCR2 (0.54) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817506 0.82 CXCR2 (0.70) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817502 0.82 CXCR2 (0.70) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7614982 0.81 CXCR2 (0.46) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817254 0.77 CXCR2 (0.49) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6817256 0.77 CXCR2 (0.49) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6917268 0.77 CXCR2 (0.48) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6917264 0.77 CXCR2 (0.48) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL7553940 0.75 CXCR2 (0.74) CXCR2CXCR1ADRB3TSPOSLC6A3
SCHEMBL6550053 0.70 CXCR2 (1.00) CXCR2CXCR1ADRB3TSPOSLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152675-C IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-06-09 CN claimed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US claimed
CN-1152675-C IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-06-09 CN disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US disclosed
CN-1232398-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-10-20 CN disclosed
EP-0929302-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-21 EP disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed