SCHEMBL6859513

SCHEMBL6859513

CCCCCSc1nc(=O)c2sc(N)nc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.65
CXCR1 P25024 1/20 0.65
SCN9A Q15858 2/20 0.50
SCN5A Q14524 1/20 0.50
XDH P47989 2/20 0.46
GPR84 Q9NQS5 9/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL6859507 0.85 CXCR2 (0.50) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6864235 0.80 CXCR2 (0.48) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6859654 0.78 CXCR2 (0.46) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6866269 0.78 CXCR2 (0.46) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6866466 0.77 CXCR2 (0.46) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6999971 0.77 CXCR2 (0.45) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6866416 0.77 CXCR2 (0.45) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6864165 0.77 CXCR2 (0.45) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6865043 0.77 CXCR2 (0.45) CXCR2CXCR1SCN9ASCN5AXDH
SCHEMBL6866004 0.76 CXCR2 (0.65) CXCR2CXCR1SCN9ASCN5AXDH

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