SCHEMBL6859583

SCHEMBL6859583

Nc1nc2[nH]c(SCc3cccc(Br)c3)nc(=O)c2s1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 1/20 0.52
CXCR2 P25025 4/20 0.50
SPR P35270 1/20 0.49
CX3CR1 P49238 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
SCN9A Q15858 1/20 0.42
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL6859610 0.89 CXCR2 (0.46) USP2HPGDTSHRL3MBTL1MAOB
SCHEMBL6864187 0.87 KMT2A (0.60) USP2TSHRL3MBTL1MAOBCXCR2
SCHEMBL841338 0.86 CXCR2 (0.66) TSHRMAOBCXCR2LMNASCN9A
SCHEMBL6866754 0.83 CXCR2 (0.72) USP2MAOBCXCR2KMT2AMEN1
SCHEMBL6866177 0.81 CXCR2 (0.46) USP2L3MBTL1MAOBCXCR2KMT2A
SCHEMBL6865826 0.81 DAO (0.49) USP2L3MBTL1CXCR2KMT2AMEN1
SCHEMBL6868880 0.80 CXCR2 (0.47) HPGDL3MBTL1CXCR2CX3CR1KMT2A
SCHEMBL6864099 0.79 CXCR2 (0.46) MAOBCXCR2KMT2AMEN1LMNA
SCHEMBL6864204 0.77 CXCR2 (0.51) HPGDTSHRMAOBCXCR2KMT2A
SCHEMBL6868927 0.76 SCN9A (0.58) MAOBCXCR2KMT2AMEN1SCN9A

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