SCHEMBL6866801

SCHEMBL6866801

C[C@@H](Nc1nc2nc(SCc3ccccc3)nc(NC(C)(C)CO)c2s1)[C@@H](O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.55
CX3CR1 P49238 13/20 0.52
CXCR1 P25024 1/20 0.47
PAK4 O96013 1/20 0.45

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
SCHEMBL6866289 1.00 CXCR2 (0.55) CXCR2CX3CR1CXCR1PAK4
SCHEMBL6865690 0.91 CXCR2 (0.60) CXCR2CX3CR1CXCR1PAK4
SCHEMBL6859571 0.89 CXCR2 (0.58) CXCR2CX3CR1CXCR1PAK4
SCHEMBL6863850 0.87 CXCR2 (0.53) CXCR2CX3CR1CXCR1PAK4
SCHEMBL6868997 0.87 CXCR2 (0.53) CXCR2CX3CR1CXCR1PAK4
SCHEMBL6866701 0.87 CXCR2 (0.65) CXCR2CX3CR1CXCR1
SCHEMBL6864553 0.86 CXCR2 (0.57) CXCR2CX3CR1CXCR1PAK4
SCHEMBL6868976 0.86 CXCR2 (0.59) CXCR2CX3CR1CXCR1PAK4
SCHEMBL6863722 0.85 CXCR2 (0.56) CXCR2CX3CR1CXCR1PAK4
SCHEMBL6863727 0.85 CXCR2 (0.56) CXCR2CX3CR1CXCR1PAK4

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