SCHEMBL6868070

SCHEMBL6868070

CC(C)(CO)Nc1nc(SCc2ccccc2)nc2nc(NCCOc3ccccc3)sc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 14/20 0.61
PAK4 O96013 2/20 0.49
CXCR1 P25024 1/20 0.47
CX3CR1 P49238 10/20 0.47
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6865683 0.89 CXCR2 (0.57) CXCR2PAK4CXCR1CX3CR1CYP1A2
SCHEMBL6863672 0.89 PAK4 (0.62) CXCR2PAK4CXCR1CX3CR1CYP1A2
SCHEMBL6866371 0.88 CXCR2 (0.59) CXCR2PAK4CXCR1CX3CR1
SCHEMBL6865622 0.87 CXCR2 (0.58) CXCR2PAK4CXCR1CX3CR1
SCHEMBL6869141 0.86 CXCR2 (0.57) CXCR2PAK4CXCR1CX3CR1CYP1A2
SCHEMBL6869027 0.86 CXCR2 (0.61) CXCR2PAK4CXCR1CX3CR1
SCHEMBL6866384 0.85 CXCR2 (0.56) CXCR2PAK4CXCR1CX3CR1
SCHEMBL6866674 0.85 CXCR2 (0.56) CXCR2PAK4CXCR1CX3CR1CYP1A2
SCHEMBL6866690 0.84 CXCR2 (0.61) CXCR2PAK4CXCR1CX3CR1
SCHEMBL6868639 0.84 CXCR2 (0.66) 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 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