SCHEMBL6859529

SCHEMBL6859529

CC(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 1.00
CX3CR1 P49238 2/20 0.80
CXCR1 P25024 1/20 0.71

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
SCHEMBL842319 1.00 CXCR2 (1.00) CXCR2CX3CR1CXCR1
SCHEMBL842363 0.92 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL4481036 0.92 CXCR2 (0.84) CXCR2CX3CR1
SCHEMBL841694 0.91 CXCR2 (0.84) CXCR2CX3CR1CXCR1
SCHEMBL4488684 0.90 CXCR2 (1.00) CXCR2CX3CR1CXCR1
SCHEMBL4710712 0.90 CXCR2 (1.00) CXCR2CX3CR1CXCR1
SCHEMBL841965 0.90 CXCR2 (0.81) CXCR2CX3CR1
SCHEMBL5433102 0.89 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL6859597 0.89 CXCR2 (1.00) CXCR2CX3CR1CXCR1
SCHEMBL6865451 0.89 CXCR2 (1.00) CXCR2CX3CR1CXCR1

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 6 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-20150065575-A1 S100A8/A9 as a Diagnostic Marker and a Therapeutic Target THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-03-05 US disclosed
US-20150065575-A1 S100A8/A9 as a Diagnostic Marker and a Therapeutic Target THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-03-05 US disclosed
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