SCHEMBL6868880

SCHEMBL6868880

Nc1nc2[nH]c(SCc3ccccc3Br)nc(=O)c2s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.47
CX3CR1 P49238 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RPS6KA3 P51812 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6866758 0.86 MEN1 (0.57) CXCR2MEN1KMT2ALMNAHPGD
SCHEMBL6866799 0.86 CXCR2 (0.47) CXCR2MEN1KMT2ALMNAHPGD
SCHEMBL4236680 0.86 CXCR2 (0.57) CXCR2CX3CR1MEN1KMT2ALMNA
SCHEMBL6868931 0.83 CXCR2 (0.47) CXCR2MEN1KMT2ALMNAALDH1A1
SCHEMBL841338 0.83 CXCR2 (0.66) CXCR2LMNAALDH1A1SCN9AMAPT
SCHEMBL6868838 0.82 CTSB (0.52) CXCR2MEN1KMT2ALMNAALDH1A1
SCHEMBL6865630 0.82 CXCR2 (0.47) CXCR2MEN1KMT2ALMNAHPGD
SCHEMBL6863908 0.80 CXCR2 (0.56) CXCR2KMT2AHPGDGAA
SCHEMBL6859610 0.79 CXCR2 (0.46) CXCR2MEN1KMT2ALMNAHPGD
SCHEMBL6865137 0.77 HPGD (0.50) CXCR2MEN1KMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US claimed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US disclosed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 EP disclosed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 WO disclosed