SCHEMBL6859563

SCHEMBL6859563

O=c1nc(SCc2cccc(F)c2F)[nH]c2nc(NCCOCCO)sc12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.46
CX3CR1 P49238 2/20 0.42
CCR7 P32248 2/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL6866731 0.86 CXCR2 (0.52) CXCR2CX3CR1CHRM5
SCHEMBL6868308 0.80 CXCR2 (0.51) CXCR2CX3CR1CHRM5
SCHEMBL6997947 0.79 CXCR2 (0.56) CXCR2CX3CR1CHRM5
SCHEMBL6866063 0.78 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL842857 0.78 CXCR2 (0.66) CXCR2CX3CR1CCR7
SCHEMBL842322 0.78 CXCR2 (0.70) CXCR2CX3CR1CHRM5
SCHEMBL6866478 0.78 KMT2A (0.44) CXCR2
SCHEMBL6863816 0.76 CXCR2 (0.42) CXCR2
SCHEMBL6865116 0.72 CXCR2 (0.53) CXCR2CX3CR1CHRM5
SCHEMBL6868967 0.71 CXCR2 (0.69) CXCR2CX3CR1CCR7

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 4 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