SCHEMBL6863672

SCHEMBL6863672

CC(C)(CO)Nc1nc(SCc2ccccc2)nc2nc(NCCO)sc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.62
CXCR2 P25025 14/20 0.60
CX3CR1 P49238 10/20 0.52
CXCR1 P25024 1/20 0.52
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6869141 0.93 CXCR2 (0.57) PAK4CXCR2CX3CR1CXCR1MEN1
SCHEMBL6866371 0.93 CXCR2 (0.59) PAK4CXCR2CX3CR1CXCR1
SCHEMBL6865622 0.92 CXCR2 (0.58) PAK4CXCR2CX3CR1CXCR1
SCHEMBL6869027 0.91 CXCR2 (0.61) PAK4CXCR2CX3CR1CXCR1
SCHEMBL6865683 0.91 CXCR2 (0.57) PAK4CXCR2CX3CR1CXCR1MEN1
SCHEMBL6866384 0.91 CXCR2 (0.56) PAK4CXCR2CX3CR1CXCR1
SCHEMBL6866674 0.90 CXCR2 (0.56) PAK4CXCR2CX3CR1CXCR1MEN1
SCHEMBL6866690 0.89 CXCR2 (0.61) PAK4CXCR2CX3CR1CXCR1
SCHEMBL6868070 0.89 CXCR2 (0.61) PAK4CXCR2CX3CR1CXCR1CYP1A2
SCHEMBL6866465 0.89 CXCR2 (0.62) PAK4CXCR2CX3CR1CXCR1

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