SCHEMBL6859516

SCHEMBL6859516

CC(CO)Nc1nc(SCc2ccccc2)nc2nc(NCCN3CCOCC3)sc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 17/20 0.61
CX3CR1 P49238 9/20 0.61
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6864091 0.91 CX3CR1 (0.64) CXCR2CX3CR1
SCHEMBL6866704 0.86 PAK4 (0.55) CXCR2CX3CR1MEN1ALDH1A1LMNA
SCHEMBL6868962 0.85 CXCR2 (0.51) CXCR2CX3CR1LMNA
SCHEMBL6869005 0.84 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL6999221 0.84 CX3CR1 (0.46) CXCR2CX3CR1LMNA
SCHEMBL6866136 0.81 CXCR2 (0.64) CXCR2CX3CR1
SCHEMBL6866675 0.80 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL6865656 0.80 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL6868639 0.80 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL6864634 0.80 CXCR2 (0.77) CXCR2CX3CR1MEN1ALDH1A1LMNA

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