SCHEMBL6864099

SCHEMBL6864099

Nc1nc2[nH]c(SCc3cc(F)cc(F)c3)nc(=O)c2s1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.46
RPS6KA3 P51812 1/20 0.38
DAO P14920 2/20 0.37
CTSB P07858 1/20 0.37
MAOB P27338 1/20 0.37
SCN9A Q15858 4/20 0.37
TOP2A P11388 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6866177 0.85 CXCR2 (0.46) CXCR2RPS6KA3DAOCTSBMAOB
SCHEMBL6859610 0.85 CXCR2 (0.46) CXCR2RPS6KA3MAOBSCN9AMEN1
SCHEMBL841338 0.82 CXCR2 (0.66) CXCR2DAOCTSBMAOBSCN9A
SCHEMBL6868927 0.80 SCN9A (0.58) CXCR2DAOMAOBSCN9ATOP2A
SCHEMBL6865826 0.80 DAO (0.49) CXCR2DAOSCN9AMEN1KMT2A
SCHEMBL6859583 0.79 USP2 (0.54) CXCR2MAOBSCN9AMEN1KMT2A
SCHEMBL6864187 0.79 KMT2A (0.60) CXCR2DAOCTSBMAOBTOP2A
SCHEMBL4236680 0.79 CXCR2 (0.57) CXCR2CTSBTOP2AMEN1KMT2A
SCHEMBL6863822 0.78 CXCR2 (0.56) CXCR2
SCHEMBL842322 0.77 CXCR2 (0.70) CXCR2

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