SCHEMBL7003746

SCHEMBL7003746

CNc1nc2nc(SCc3ccccc3)nc(NCC(C)CO)c2s1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 15/20 0.57
CX3CR1 P49238 13/20 0.57
PAK4 O96013 2/20 0.55

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
SCHEMBL6864634 0.85 CXCR2 (0.77) CXCR2CX3CR1
SCHEMBL6869080 0.82 CX3CR1 (0.79) CXCR2CX3CR1
SCHEMBL7003743 0.81 CXCR2 (0.60) CXCR2CX3CR1PAK4
SCHEMBL6865679 0.81 CXCR2 (0.65) CXCR2CX3CR1PAK4
SCHEMBL6866465 0.79 CXCR2 (0.62) CXCR2CX3CR1PAK4
SCHEMBL6865107 0.77 PAK4 (0.72) CXCR2CX3CR1PAK4
SCHEMBL6992882 0.77 CXCR2 (0.57) CXCR2CX3CR1PAK4
SCHEMBL6859493 0.76 PAK4 (0.74) CXCR2CX3CR1PAK4
SCHEMBL6869005 0.76 CXCR2 (0.72) CXCR2CX3CR1PAK4
SCHEMBL6865600 0.76 PAK4 (0.69) CXCR2CX3CR1PAK4

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