SCHEMBL6864129

SCHEMBL6864129

CCC(CO)Nc1nc(SCc2ccccc2)nc2nc(NC3CC3)sc12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.72
CX3CR1 P49238 13/20 0.72

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
SCHEMBL6859589 0.91 CXCR2 (0.73) CXCR2CX3CR1
SCHEMBL6859484 0.89 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL5232021 0.85 CXCR2 (0.67) CXCR2CX3CR1
SCHEMBL5232013 0.85 CXCR2 (0.67) CXCR2CX3CR1
SCHEMBL6866095 0.85 CXCR2 (0.58) CXCR2CX3CR1
SCHEMBL842745 0.84 CXCR2 (0.80) CXCR2CX3CR1
SCHEMBL5036079 0.84 CXCR2 (0.80) CXCR2CX3CR1
SCHEMBL6999929 0.84 CXCR2 (0.53) CXCR2CX3CR1
SCHEMBL6865673 0.84 CXCR2 (0.73) CXCR2CX3CR1
SCHEMBL6866362 0.84 CXCR2 (1.00) 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