SCHEMBL6865581

SCHEMBL6865581

CCCN(CCO)c1nc(SCc2cccc(Oc3ccccc3)c2)nc2nc(N)sc12

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.62
PAK4 O96013 4/20 0.55
CX3CR1 P49238 7/20 0.47
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6865910 0.96 CXCR2 (0.63) CXCR2PAK4CX3CR1
SCHEMBL6864532 0.95 CXCR2 (0.60) CXCR2PAK4CX3CR1
SCHEMBL6866664 0.92 CXCR2 (0.60) CXCR2PAK4CX3CR1
SCHEMBL6859443 0.89 PAK4 (0.68) CXCR2PAK4CX3CR1
SCHEMBL6859494 0.87 CXCR2 (0.56) CXCR2PAK4CX3CR1
SCHEMBL6864540 0.79 CXCR2 (0.65) CXCR2PAK4CX3CR1
SCHEMBL6869012 0.79 PAK4 (0.77) CXCR2PAK4CX3CR1
SCHEMBL6865589 0.78 CXCR2 (0.69) CXCR2PAK4CX3CR1
SCHEMBL6864490 0.78 PAK4 (0.78) CXCR2PAK4CX3CR1
SCHEMBL6859464 0.77 CXCR2 (0.72) CXCR2PAK4CX3CR1

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