SCHEMBL6865674

SCHEMBL6865674

CCC(CO)Nc1nc(SCc2ccccc2)nc2nc(NCC3CCCO3)sc12

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.62
CX3CR1 P49238 14/20 0.62

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
SCHEMBL6868059 0.92 CX3CR1 (0.63) CXCR2CX3CR1
SCHEMBL6865997 0.90 CXCR2 (0.61) CXCR2CX3CR1
SCHEMBL6864151 0.87 CX3CR1 (0.51) CXCR2CX3CR1
SCHEMBL6866077 0.84 CXCR2 (0.51) CXCR2CX3CR1
SCHEMBL6995887 0.83 NPC1 (0.43) CXCR2CX3CR1
SCHEMBL6864129 0.82 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL6865673 0.81 CXCR2 (0.73) CXCR2CX3CR1
SCHEMBL6859474 0.80 PAK4 (0.53) CXCR2
SCHEMBL5036079 0.78 CXCR2 (0.80) CXCR2CX3CR1
SCHEMBL842745 0.78 CXCR2 (0.80) 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