SCHEMBL6866701

SCHEMBL6866701

CC(CO)Nc1nc2nc(SCc3ccccc3)nc(NC(C)(C)CO)c2s1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.65
CX3CR1 P49238 10/20 0.65
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CXCR1 P25024 1/20 0.50

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
SCHEMBL6864553 0.93 CXCR2 (0.57) CXCR2CX3CR1CXCR1
SCHEMBL6865690 0.92 CXCR2 (0.60) CXCR2CX3CR1CXCR1
SCHEMBL6863877 0.92 CXCR2 (0.56) CXCR2CX3CR1CXCR1
SCHEMBL6868976 0.91 CXCR2 (0.59) CXCR2CX3CR1CXCR1
SCHEMBL6859489 0.90 CXCR2 (0.69) CXCR2CX3CR1CXCR1
SCHEMBL6864198 0.89 CXCR2 (0.53) CXCR2CX3CR1CXCR1
SCHEMBL6863722 0.89 CXCR2 (0.56) CXCR2CX3CR1CXCR1
SCHEMBL6863727 0.89 CXCR2 (0.56) CXCR2CX3CR1CXCR1
SCHEMBL6863894 0.89 CXCR2 (0.66) CXCR2CX3CR1CXCR1
SCHEMBL6859571 0.89 CXCR2 (0.58) CXCR2CX3CR1CXCR1

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
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
EP-1104425-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-06 EP disclosed
WO-2000009511-A1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-02-24 WO disclosed