SCHEMBL6864085

SCHEMBL6864085

CC(C)Nc1nc(SCc2ccccc2)nc2nc(NCCOCCO)sc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 16/20 0.55
CXCR2 P25025 15/20 0.55
PAK4 O96013 2/20 0.53

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
SCHEMBL6866675 0.93 CXCR2 (0.66) CX3CR1CXCR2PAK4
SCHEMBL6866196 0.90 CX3CR1 (0.69) CX3CR1CXCR2
SCHEMBL6865593 0.89 CXCR2 (0.67) CX3CR1CXCR2PAK4
SCHEMBL6991839 0.89 PAK4 (0.57) CX3CR1CXCR2PAK4
SCHEMBL6865683 0.85 CXCR2 (0.57) CX3CR1CXCR2PAK4
SCHEMBL6865140 0.84 PAK4 (0.56) CX3CR1CXCR2PAK4
SCHEMBL6869005 0.82 CXCR2 (0.72) CX3CR1CXCR2PAK4
SCHEMBL6868639 0.82 CXCR2 (0.66) CX3CR1CXCR2
SCHEMBL6869357 0.80 CX3CR1 (0.76) CX3CR1CXCR2PAK4
SCHEMBL6863857 0.80 CX3CR1 (0.69) CX3CR1CXCR2

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