SCHEMBL6864523

SCHEMBL6864523

CC(C)(CO)CNc1nc(SCc2ccccc2)nc2nc(N)sc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.72
CXCR2 P25025 13/20 0.68
CX3CR1 P49238 12/20 0.68

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
SCHEMBL6865476 0.89 CXCR2 (0.79) PAK4CXCR2CX3CR1
SCHEMBL841880 0.85 CXCR2 (0.79) PAK4CXCR2CX3CR1
SCHEMBL6868929 0.84 PAK4 (1.00) PAK4CXCR2CX3CR1
SCHEMBL6865107 0.81 PAK4 (0.72) PAK4CXCR2CX3CR1
SCHEMBL6859493 0.80 PAK4 (0.74) PAK4CXCR2CX3CR1
SCHEMBL6866078 0.80 CXCR2 (0.75) PAK4CXCR2CX3CR1
SCHEMBL842445 0.79 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL842444 0.79 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL4484779 0.79 CXCR2 (0.88) PAK4CXCR2CX3CR1
SCHEMBL6865864 0.79 CXCR2 (0.73) PAK4CXCR2CX3CR1

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