SCHEMBL6865116

SCHEMBL6865116

O=c1nc(SCc2cccc(F)c2F)[nH]c2ncsc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.53
CHRM5 P08912 1/20 0.46
CX3CR1 P49238 1/20 0.46
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL6997947 0.82 CXCR2 (0.56) CXCR2CHRM5CX3CR1KDM4EMEN1
SCHEMBL842322 0.81 CXCR2 (0.70) CXCR2CHRM5CX3CR1
SCHEMBL6866063 0.78 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL6866731 0.78 CXCR2 (0.52) CXCR2CHRM5CX3CR1
SCHEMBL4373932 0.74 CXCR2 (0.54) CXCR2CHRM5CX3CR1
SCHEMBL6868308 0.72 CXCR2 (0.51) CXCR2CHRM5CX3CR1
SCHEMBL6859563 0.72 CXCR2 (0.46) CXCR2CHRM5CX3CR1
SCHEMBL6865123 0.72 CXCR2 (0.56) CXCR2MEN1ALDH1A1KMT2A
SCHEMBL4236680 0.71 CXCR2 (0.57) CXCR2CX3CR1KDM4EMEN1ALDH1A1
SCHEMBL6863822 0.70 CXCR2 (0.56) CXCR2

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