SCHEMBL4063457

SCHEMBL4063457

CC(C)C[C@@H](C)N(O)c1nc(SCCc2ccccc2)nc2[nH]c(=O)sc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.53
CX3CR1 P49238 14/20 0.53
HTR1B P28222 1/20 0.37
CCR7 P32248 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL9902066 0.85 CXCR2 (0.41) CXCR2CX3CR1HTR1B
SCHEMBL4063454 0.83 CXCR2 (0.64) CXCR2CX3CR1
SCHEMBL9905764 0.78 CXCR2 (0.36) CXCR2CX3CR1HTR1B
SCHEMBL4056044 0.74 CXCR2 (0.35) CXCR2CX3CR1
SCHEMBL4063461 0.74 CXCR2 (0.71) CXCR2CX3CR1HTR1BCCR7
SCHEMBL9905776 0.72 CXCR2 (0.37) CXCR2CX3CR1
SCHEMBL213765 0.69 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL5452459 0.69 CXCR2 (0.71) CXCR2CX3CR1HTR1B
SCHEMBL4114393 0.67 CXCR2 (0.69) CXCR2CX3CR1HTR1B
SCHEMBL5444488 0.67 CXCR2 (0.69) 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