SCHEMBL6863600

SCHEMBL6863600

CCN(CCO)c1nc(SCc2ccccc2)nc2nc(NCCc3c[nH]cn3)sc12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.43
CX3CR1 P49238 13/20 0.39
CXCR2 P25025 13/20 0.39

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
SCHEMBL6864824 0.92 PAK4 (0.41) PAK4CX3CR1CXCR2
SCHEMBL6863872 0.87 PAK4 (0.56) PAK4CX3CR1CXCR2
SCHEMBL6868892 0.82 PAK4 (0.48) PAK4CX3CR1CXCR2
SCHEMBL6865958 0.80 CXCR2 (0.63) PAK4CX3CR1CXCR2
SCHEMBL6865575 0.80 PAK4 (0.54) PAK4CX3CR1CXCR2
SCHEMBL6865151 0.80 PAK4 (0.53) PAK4CX3CR1CXCR2
SCHEMBL6864157 0.80 CXCR2 (0.63) CX3CR1CXCR2
SCHEMBL6865975 0.80 CXCR2 (0.52) PAK4CX3CR1CXCR2
SCHEMBL6865117 0.79 CX3CR1 (0.47) PAK4CX3CR1CXCR2
SCHEMBL6865962 0.78 CXCR2 (0.49) PAK4CX3CR1CXCR2

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