SCHEMBL6869005

SCHEMBL6869005

CC(CO)Nc1nc(SCc2ccccc2)nc2nc(NCCCO)sc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.72
CX3CR1 P49238 9/20 0.72
PAK4 O96013 1/20 0.56

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
SCHEMBL6866675 0.90 CXCR2 (0.66) CXCR2CX3CR1PAK4
SCHEMBL6866352 0.90 CX3CR1 (0.75) CXCR2CX3CR1
SCHEMBL6865673 0.89 CXCR2 (0.73) CXCR2CX3CR1PAK4
SCHEMBL6865656 0.88 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL6868639 0.88 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL6864634 0.88 CXCR2 (0.77) CXCR2CX3CR1
SCHEMBL6866136 0.86 CXCR2 (0.64) CXCR2CX3CR1PAK4
SCHEMBL6865958 0.86 CXCR2 (0.63) CXCR2CX3CR1PAK4
SCHEMBL842708 0.85 CXCR2 (0.79) CXCR2CX3CR1
SCHEMBL842707 0.85 CXCR2 (0.79) 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 6 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
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 EP disclosed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 WO disclosed