SCHEMBL6995579

SCHEMBL6995579

CCCC(CO)Nc1nc2nc(SCc3ccccc3)nc(N[C@@H](CO)C(=O)OCC)c2s1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.66
CX3CR1 P49238 16/20 0.66

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
SCHEMBL6866008 0.91 CXCR2 (0.70) CXCR2CX3CR1
SCHEMBL6992882 0.89 CXCR2 (0.57) CXCR2CX3CR1
SCHEMBL6999929 0.85 CXCR2 (0.53) CXCR2CX3CR1
SCHEMBL6865644 0.84 CX3CR1 (0.74) CXCR2CX3CR1
SCHEMBL6865128 0.81 CXCR2 (0.67) CXCR2CX3CR1
SCHEMBL6864793 0.80 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL5436823 0.80 CXCR2 (0.76) CXCR2CX3CR1
SCHEMBL5434517 0.80 CXCR2 (0.79) CXCR2CX3CR1
SCHEMBL212013 0.80 CXCR2 (1.00) CXCR2CX3CR1
SCHEMBL6865679 0.79 CXCR2 (0.65) 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 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