SCHEMBL6866288

SCHEMBL6866288

Nc1nc2nc(SCc3cccc(F)c3F)nc(NCCCCO)c2s1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.70
CXCR1 P25024 1/20 0.68
CX3CR1 P49238 2/20 0.67
CCR7 P32248 2/20 0.62
PAK4 O96013 1/20 0.59

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
SCHEMBL5035710 0.93 CXCR2 (0.74) CXCR2CXCR1CX3CR1CCR7PAK4
SCHEMBL6865488 0.88 CXCR2 (0.69) CXCR2CXCR1CX3CR1CCR7PAK4
SCHEMBL4497952 0.88 CXCR2 (0.67) CXCR2CXCR1CX3CR1CCR7PAK4
SCHEMBL6859607 0.85 CXCR2 (0.72) CXCR2CXCR1CX3CR1PAK4
SCHEMBL5040415 0.85 CXCR2 (0.66) CXCR2CXCR1CX3CR1CCR7PAK4
SCHEMBL6859532 0.83 CXCR2 (0.74) CXCR2CXCR1CX3CR1
SCHEMBL6866821 0.83 CXCR2 (0.74) CXCR2CXCR1CX3CR1
SCHEMBL6865964 0.83 CXCR2 (0.67) CXCR2CXCR1CX3CR1PAK4
SCHEMBL4488684 0.83 CXCR2 (1.00) CXCR2CXCR1CX3CR1
SCHEMBL4483569 0.83 CXCR2 (0.63) CXCR2CXCR1CX3CR1PAK4

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-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