SCHEMBL4063454

SCHEMBL4063454

CC(C)C[C@@H](C)N(O)c1nc(SC(C)c2ccccc2)nc2[nH]c(=O)sc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.64
CX3CR1 P49238 14/20 0.64
ADORA1 P30542 1/20 0.42
DAO P14920 1/20 0.34
ADORA3 P0DMS8 2/20 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
SCHEMBL4063457 0.83 CXCR2 (0.53) CXCR2CX3CR1
SCHEMBL9902065 0.83 CXCR2 (0.45) CXCR2CX3CR1
SCHEMBL213766 0.78 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL4129653 0.78 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL213886 0.78 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL212748 0.78 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL4056044 0.75 CXCR2 (0.35) CXCR2CX3CR1
SCHEMBL9905776 0.75 CXCR2 (0.37) CXCR2CX3CR1
SCHEMBL9902066 0.75 CXCR2 (0.41) CXCR2CX3CR1DAO
SCHEMBL9905763 0.74 CXCR2 (0.37) CXCR2CX3CR1

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-2009120140-A1 NOVEL 5,7-DISUBSTITUTED [1,3]THIAZOLO[4,5-D]PYRIMIDIN-2(3H)-ONE DERIVATIVES 258 ASTRAZENECA AB (SE) 2009-10-01 WO disclosed