SCHEMBL6865679

SCHEMBL6865679

CNc1nc2nc(SCc3ccccc3)nc(N[C@@H](CO)C(=O)O)c2s1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.65
CX3CR1 P49238 15/20 0.65
PAK4 O96013 1/20 0.49

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
SCHEMBL6992882 0.90 CXCR2 (0.57) CXCR2CX3CR1PAK4
SCHEMBL6866008 0.87 CXCR2 (0.70) CXCR2CX3CR1
SCHEMBL6864634 0.87 CXCR2 (0.77) CXCR2CX3CR1
SCHEMBL6866095 0.87 CXCR2 (0.58) CXCR2CX3CR1PAK4
SCHEMBL6869080 0.83 CX3CR1 (0.79) CXCR2CX3CR1
SCHEMBL7003743 0.82 CXCR2 (0.60) CXCR2CX3CR1PAK4
SCHEMBL7003746 0.81 CXCR2 (0.57) CXCR2CX3CR1PAK4
SCHEMBL6864151 0.80 CX3CR1 (0.51) CXCR2CX3CR1PAK4
SCHEMBL6999929 0.79 CXCR2 (0.53) CXCR2CX3CR1PAK4
SCHEMBL6995579 0.79 CXCR2 (0.66) CXCR2CX3CR1

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