SCHEMBL6996895

SCHEMBL6996895

COC(=O)[C@H](CO)Nc1nc2nc(SCc3cccc(F)c3F)nc(NC(C)(C)CO)c2s1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.67
CXCR1 P25024 1/20 0.67
CCR7 P32248 1/20 0.55
CX3CR1 P49238 1/20 0.51

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
SCHEMBL6865057 0.92 CXCR2 (0.69) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6865051 0.92 CXCR2 (0.69) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6869265 0.87 CXCR2 (0.76) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6864156 0.84 CXCR2 (0.69) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6869113 0.84 CXCR2 (0.80) CXCR2CXCR1CCR7CX3CR1
SCHEMBL842950 0.83 CXCR2 (0.77) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6865142 0.83 CXCR2 (0.77) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6865459 0.82 CXCR2 (0.74) CXCR2CXCR1CCR7CX3CR1
SCHEMBL841656 0.81 CXCR2 (0.81) CXCR2CXCR1CCR7CX3CR1
SCHEMBL6866679 0.81 CXCR2 (0.67) CXCR2CXCR1CCR7CX3CR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP claimed