SCHEMBL6865451

SCHEMBL6865451

CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 1.00
CX3CR1 P49238 3/20 0.84
CXCR1 P25024 1/20 0.69
CCR7 P32248 1/20 0.66

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
SCHEMBL6859597 1.00 CXCR2 (1.00) CXCR2CX3CR1CXCR1CCR7
SCHEMBL4488684 0.94 CXCR2 (1.00) CXCR2CX3CR1CXCR1
SCHEMBL5238750 0.91 CXCR2 (0.84) CXCR2CX3CR1CXCR1
SCHEMBL5433102 0.91 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL842319 0.89 CXCR2 (1.00) CXCR2CX3CR1CXCR1
SCHEMBL6859529 0.89 CXCR2 (1.00) CXCR2CX3CR1CXCR1
SCHEMBL4710712 0.86 CXCR2 (1.00) CXCR2CX3CR1CXCR1
SCHEMBL4489772 0.85 CXCR2 (0.78) CXCR2CX3CR1CXCR1
SCHEMBL841694 0.84 CXCR2 (0.84) CXCR2CX3CR1CXCR1
SCHEMBL842094 0.84 CXCR2 (0.80) CXCR2CX3CR1CXCR1CCR7

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-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
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 EP disclosed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 WO disclosed