SCHEMBL6869150

SCHEMBL6869150

Nc1nc2nc(SCc3ccccc3)nc(NC(CO)Cc3ccccc3)c2s1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CX3CR1 P49238 16/20 0.83
CXCR2 P25025 16/20 0.83
PAK4 O96013 1/20 0.67

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
SCHEMBL6869148 1.00 CX3CR1 (0.83) CX3CR1CXCR2PAK4
SCHEMBL4484779 0.95 CXCR2 (0.88) CX3CR1CXCR2PAK4
SCHEMBL6864114 0.94 CXCR2 (0.75) CX3CR1CXCR2PAK4
SCHEMBL842571 0.91 CXCR2 (1.00) CX3CR1CXCR2PAK4
SCHEMBL842570 0.91 CXCR2 (1.00) CX3CR1CXCR2PAK4
SCHEMBL6866362 0.91 CXCR2 (1.00) CX3CR1CXCR2PAK4
SCHEMBL6865627 0.89 CXCR2 (0.86) CX3CR1CXCR2
SCHEMBL6865633 0.89 CXCR2 (0.86) CX3CR1CXCR2
SCHEMBL212013 0.89 CXCR2 (1.00) CX3CR1CXCR2PAK4
SCHEMBL5233299 0.89 CX3CR1 (1.00) 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 6 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
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 EP claimed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 WO 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