SCHEMBL7067489

SCHEMBL7067489

COc1cc(C#N)ccc1N[N]c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.42
CXCR2 P25025 2/20 0.39
CXCR1 P25024 1/20 0.39
LRRK2 Q5S007 1/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ACLY P53396 2/20 0.36
IDH1 O75874 1/20 0.35
TRIM24 O15164 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
ESRRA P11474 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
BRD4 O60885 1/20 0.33
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33

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
SCHEMBL7069156 0.80 CXCR2 (0.56) CXCR2CXCR1MAPTKDM4EALDH1A1
SCHEMBL7067490 0.79 CXCR2 (0.48) ARCXCR2CXCR1LRRK2EGFR
SCHEMBL6129921 0.73 CXCR2 (0.47) ARCXCR2CXCR1LRRK2EGFR
SCHEMBL22954626 0.71 LRRK2 (0.54) ARLRRK2ACLYIDH1TRIM24
SCHEMBL30376409 0.70 AR (0.51) ARMAPTSLC6A4EGLN2ESRRA
SCHEMBL364484 0.70 AR (0.51) ARMAPTSLC6A4EGLN2ESRRA
SCHEMBL6930935 0.69 AR (0.37) ARCXCR2CXCR1LRRK2EGFR
SCHEMBL30118209 0.67 AR (0.51) ARSLC6A4EGLN2ESRRAKDM4E
SCHEMBL708391 0.67 AR (0.51) ARSLC6A4EGLN2ESRRAKDM4E
SCHEMBL15507439 0.67 HTT (0.48) ARLRRK2ACLYIDH1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265905-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 EP disclosed
EP-1265905-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-18 EP disclosed
WO-2001064691-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO disclosed