SCHEMBL1487149

SCHEMBL1487149

CC(C)(C)Oc1cc(C2CCN2S(N)(=O)=O)nc(SCc2cccc(F)c2F)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.41
CXCR1 P25024 2/20 0.41
CCR7 P32248 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL1487064 0.89 CXCR2 (0.46) CXCR2CXCR1
SCHEMBL1487018 0.89 CXCR2 (0.46) CXCR2CXCR1
SCHEMBL12153017 0.87 CXCR2 (0.45) CXCR2CXCR1
SCHEMBL1803591 0.86 CXCR2 (0.36) CXCR2CXCR1CCR7
SCHEMBL1487137 0.85 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL1487141 0.85 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL1803298 0.83 CXCR2 (0.62) CXCR2CXCR1
SCHEMBL1804986 0.83 CXCR2 (0.46) CXCR2CXCR1
SCHEMBL1799348 0.81 CXCR2 (0.40) CXCR2CXCR1
SCHEMBL1806813 0.81 CXCR2 (0.41) CXCR2CXCR1CCR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 EP disclosed