SCHEMBL4058815

SCHEMBL4058815

CC(C[C@@H](C)CO)Nc1nc(S)nc2[nH]c(=O)sc12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.48
CX3CR1 P49238 13/20 0.48
HTR1B P28222 1/20 0.43

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
SCHEMBL4119767 0.83 CXCR2 (0.60) CXCR2CX3CR1HTR1B
SCHEMBL4119760 0.83 CXCR2 (0.60) CXCR2CX3CR1HTR1B
SCHEMBL4063461 0.75 CXCR2 (0.71) CXCR2CX3CR1HTR1B
SCHEMBL9902071 0.71 CXCR2 (0.54) CXCR2CX3CR1HTR1B
SCHEMBL9905765 0.69 CXCR2 (0.49) CXCR2CX3CR1HTR1B
SCHEMBL212299 0.68 CXCR2 (0.71) CXCR2CX3CR1HTR1B
SCHEMBL12022718 0.68 CXCR2 (0.71) CXCR2CX3CR1HTR1B
SCHEMBL4056044 0.67 CXCR2 (0.35) CXCR2CX3CR1
SCHEMBL840843 0.66 CXCR2 (0.56) CXCR2CX3CR1HTR1B
SCHEMBL841944 0.65 CXCR2 (1.00) CXCR2CX3CR1HTR1B

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