SCHEMBL6863857

SCHEMBL6863857

CC(C)CC(CO)Nc1nc(SCc2ccccc2)nc2nc(NCCOc3ccccc3)sc12

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 19/20 0.69
CXCR2 P25025 19/20 0.69

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
SCHEMBL6859477 1.00 CX3CR1 (0.69) CX3CR1CXCR2
SCHEMBL6868639 0.91 CXCR2 (0.66) CX3CR1CXCR2
SCHEMBL6866196 0.90 CX3CR1 (0.69) CX3CR1CXCR2
SCHEMBL6869357 0.89 CX3CR1 (0.76) CX3CR1CXCR2
SCHEMBL6866352 0.89 CX3CR1 (0.75) CX3CR1CXCR2
SCHEMBL6869080 0.86 CX3CR1 (0.79) CX3CR1CXCR2
SCHEMBL6859454 0.85 CX3CR1 (0.69) CX3CR1CXCR2
SCHEMBL5231890 0.84 CX3CR1 (0.73) CX3CR1CXCR2
SCHEMBL5231878 0.84 CX3CR1 (0.73) CX3CR1CXCR2
SCHEMBL6866394 0.84 CX3CR1 (0.65) CX3CR1CXCR2

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