SCHEMBL6865633

SCHEMBL6865633

Nc1nc2nc(SCc3cccc(Oc4ccccc4)c3)nc(NC(CO)Cc3ccccc3)c2s1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.86
CX3CR1 P49238 13/20 0.67

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
SCHEMBL6865627 1.00 CXCR2 (0.86) CXCR2CX3CR1
SCHEMBL6866720 0.96 CXCR2 (0.90) CXCR2CX3CR1
SCHEMBL6865986 0.95 CXCR2 (0.78) CXCR2CX3CR1
SCHEMBL6866490 0.92 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL6865948 0.92 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL6865141 0.92 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL6859581 0.91 CXCR2 (0.85) CXCR2CX3CR1
SCHEMBL7841436 0.91 CXCR2 (0.85) CXCR2CX3CR1
SCHEMBL6864155 0.89 CXCR2 (0.82) CXCR2CX3CR1
SCHEMBL6869150 0.89 CX3CR1 (0.83) 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