SCHEMBL6866124

SCHEMBL6866124

Nc1nc2nc(SCc3cccc(Oc4ccccc4)c3)nc(NCCNCCO)c2s1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.70
CXCR2 P25025 14/20 0.69
CX3CR1 P49238 10/20 0.54

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
SCHEMBL6864490 0.95 PAK4 (0.78) PAK4CXCR2CX3CR1
SCHEMBL6859464 0.92 CXCR2 (0.72) PAK4CXCR2CX3CR1
SCHEMBL6866187 0.90 CXCR2 (0.70) PAK4CXCR2CX3CR1
SCHEMBL6865438 0.90 CXCR2 (0.69) PAK4CXCR2CX3CR1
SCHEMBL6865608 0.90 CXCR2 (0.69) PAK4CXCR2CX3CR1
SCHEMBL6865482 0.89 CXCR2 (0.68) PAK4CXCR2CX3CR1
SCHEMBL6865584 0.85 CXCR2 (0.63) PAK4CXCR2CX3CR1
SCHEMBL6864538 0.85 CXCR2 (0.62) PAK4CXCR2CX3CR1
SCHEMBL6995875 0.85 CXCR2 (0.68) PAK4CXCR2CX3CR1
SCHEMBL6868963 0.84 CXCR2 (0.72) PAK4CXCR2CX3CR1

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