SCHEMBL6868626

SCHEMBL6868626

CC(C)(CO)Nc1nc(SCc2ccccc2)nc2nc(NCC(N)=O)sc12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.59
PAK4 O96013 2/20 0.51
CX3CR1 P49238 12/20 0.51
CXCR1 P25024 1/20 0.51

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
SCHEMBL6869027 0.88 CXCR2 (0.61) CXCR2PAK4CX3CR1CXCR1
SCHEMBL6863672 0.87 PAK4 (0.62) CXCR2PAK4CX3CR1CXCR1
SCHEMBL6866371 0.86 CXCR2 (0.59) CXCR2PAK4CX3CR1CXCR1
SCHEMBL6866465 0.85 CXCR2 (0.62) CXCR2PAK4CX3CR1CXCR1
SCHEMBL6864143 0.85 CXCR2 (0.62) CXCR2PAK4CX3CR1CXCR1
SCHEMBL6865622 0.85 CXCR2 (0.58) CXCR2PAK4CX3CR1CXCR1
SCHEMBL6863852 0.84 CXCR2 (0.60) CXCR2PAK4CX3CR1CXCR1
SCHEMBL6865459 0.84 CXCR2 (0.74) CXCR2CX3CR1CXCR1
SCHEMBL6869141 0.84 CXCR2 (0.57) CXCR2PAK4CX3CR1CXCR1
SCHEMBL7846176 0.84 CXCR2 (0.57) CXCR2PAK4CX3CR1CXCR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US claimed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US disclosed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed