SCHEMBL6868059

SCHEMBL6868059

CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(NCC3CCCO3)sc12

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 19/20 0.63
CXCR2 P25025 19/20 0.63

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
SCHEMBL6865674 0.92 CXCR2 (0.62) CX3CR1CXCR2
SCHEMBL6865997 0.91 CXCR2 (0.61) CX3CR1CXCR2
SCHEMBL6864151 0.86 CX3CR1 (0.51) CX3CR1CXCR2
SCHEMBL6869357 0.83 CX3CR1 (0.76) CX3CR1CXCR2
SCHEMBL6859589 0.83 CXCR2 (0.73) CX3CR1CXCR2
SCHEMBL6866352 0.83 CX3CR1 (0.75) CX3CR1CXCR2
SCHEMBL6866077 0.83 CXCR2 (0.51) CX3CR1CXCR2
SCHEMBL6869080 0.82 CX3CR1 (0.79) CX3CR1CXCR2
SCHEMBL6864091 0.81 CX3CR1 (0.64) CX3CR1CXCR2
SCHEMBL6995887 0.80 NPC1 (0.43) CX3CR1CXCR2

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 8 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
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 EP claimed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 WO 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