SCHEMBL6999929

SCHEMBL6999929

CCOC(=O)[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(NC3CC3)sc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.53
CX3CR1 P49238 14/20 0.53
PAK4 O96013 1/20 0.42

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
SCHEMBL6866095 0.90 CXCR2 (0.58) CXCR2CX3CR1PAK4
SCHEMBL6992882 0.89 CXCR2 (0.57) CXCR2CX3CR1PAK4
SCHEMBL6995579 0.85 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL6864129 0.84 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL6859484 0.84 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL6859589 0.81 CXCR2 (0.73) CXCR2CX3CR1
SCHEMBL6866794 0.79 CXCR2 (0.65) CXCR2CX3CR1
SCHEMBL6865679 0.79 CXCR2 (0.65) CXCR2CX3CR1PAK4
SCHEMBL5232013 0.76 CXCR2 (0.67) CXCR2CX3CR1
SCHEMBL5232021 0.76 CXCR2 (0.67) 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