SCHEMBL14219237

SCHEMBL14219237

CCCC(CO)Nc1nc(SC)nc2nc(Cl)sc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.53
CX3CR1 P49238 16/20 0.53
ADORA1 P30542 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
SCHEMBL215490 0.92 CXCR2 (0.53) CXCR2CX3CR1ADORA1
SCHEMBL12022742 0.92 CXCR2 (0.53) CXCR2CX3CR1ADORA1
SCHEMBL215491 0.92 CXCR2 (0.53) CXCR2CX3CR1ADORA1
SCHEMBL14219255 0.83 CXCR2 (0.44) CXCR2CX3CR1ADORA1
SCHEMBL5434517 0.82 CXCR2 (0.79) CXCR2CX3CR1
SCHEMBL214257 0.78 CXCR2 (0.66) CXCR2CX3CR1ADORA1
SCHEMBL12568518 0.77 CX3CR1 (0.55) CXCR2CX3CR1ADORA1
SCHEMBL212764 0.77 CX3CR1 (0.55) CXCR2CX3CR1ADORA1
SCHEMBL213689 0.75 CXCR2 (0.52) CXCR2CX3CR1ADORA1
SCHEMBL213688 0.75 CXCR2 (0.52) CXCR2CX3CR1ADORA1

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
WO-2008039138-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3 ] THIAZOLO [4, 5-D] PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2008-04-03 WO disclosed