SCHEMBL6866348

SCHEMBL6866348

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.41
CXCR1 P25024 1/20 0.41
GPR84 Q9NQS5 9/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
KDM6B O15054 2/20 0.38
KDM4A O75164 2/20 0.38
KDM4D Q6B0I6 2/20 0.38
KDM3B Q7LBC6 2/20 0.38
HIF1AN Q9NWT6 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38

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
SCHEMBL6864235 0.84 CXCR2 (0.48) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6999971 0.81 CXCR2 (0.45) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6859654 0.78 CXCR2 (0.46) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6866466 0.77 CXCR2 (0.46) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6859473 0.77 CXCR2 (0.43) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6998976 0.77 CXCR2 (0.43) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6859513 0.75 CXCR2 (0.65) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6865043 0.74 CXCR2 (0.45) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6864165 0.74 CXCR2 (0.45) CXCR2CXCR1GPR84SMN1; SMN2SCN9A
SCHEMBL6866416 0.74 CXCR2 (0.45) CXCR2CXCR1GPR84SMN1; SMN2SCN9A

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