SCHEMBL6866754

SCHEMBL6866754

Nc1nc2[nH]c(SCc3cccc(Oc4ccccc4)c3)nc(=O)c2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.72
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2B6 P20813 1/20 0.49
CTSB P07858 2/20 0.46
NPC1 O15118 3/20 0.44
SCN9A Q15858 1/20 0.44
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL841338 0.87 CXCR2 (0.66) CXCR2CTSBNPC1SCN9ALMNA
SCHEMBL6864187 0.83 KMT2A (0.60) CXCR2CTSBLMNARAB9AMEN1
SCHEMBL6859583 0.83 USP2 (0.54) CXCR2SCN9ALMNAALDH1A1MEN1
SCHEMBL6865123 0.82 CXCR2 (0.56) CXCR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6866526 0.78 KDM4E (0.58) CXCR2NPC1LMNARAB9ASMN1; SMN2
SCHEMBL6866177 0.76 CXCR2 (0.46) CXCR2CTSBSCN9ALMNARAB9A
SCHEMBL6864099 0.76 CXCR2 (0.46) CXCR2CTSBSCN9ALMNAMEN1
SCHEMBL6859610 0.76 CXCR2 (0.46) CXCR2SCN9ALMNAALDH1A1MEN1
SCHEMBL4227284 0.75 MAPT (0.45) CXCR2CYP1A2SCN9ALMNASMN1; SMN2
SCHEMBL6865630 0.74 CXCR2 (0.47) CXCR2CTSBLMNASMN1; SMN2MEN1

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