SCHEMBL6997947

SCHEMBL6997947

O=c1nc(SCc2cccc(F)c2F)[nH]c2nc(Br)sc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.56
CX3CR1 P49238 2/20 0.46
CHRM5 P08912 1/20 0.46
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL842322 0.88 CXCR2 (0.70) CXCR2CX3CR1CHRM5
SCHEMBL6866063 0.84 CXCR2 (0.52) CXCR2CX3CR1
SCHEMBL6866731 0.84 CXCR2 (0.52) CXCR2CX3CR1CHRM5
SCHEMBL6865116 0.82 CXCR2 (0.53) CXCR2CX3CR1CHRM5KDM4EMEN1
SCHEMBL6868308 0.79 CXCR2 (0.51) CXCR2CX3CR1CHRM5
SCHEMBL6859563 0.79 CXCR2 (0.46) CXCR2CX3CR1CHRM5
SCHEMBL6864204 0.78 CXCR2 (0.51) CXCR2ALDH1A1KMT2A
SCHEMBL4236680 0.78 CXCR2 (0.57) CXCR2CX3CR1KDM4EMEN1ALDH1A1
SCHEMBL6863822 0.77 CXCR2 (0.56) CXCR2
SCHEMBL6863908 0.77 CXCR2 (0.56) CXCR2KMT2A

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-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed