SCHEMBL6866478

SCHEMBL6866478

O=c1nc(SCc2cccc(F)c2F)[nH]c2nc(NCCc3c[nH]c4ccccc34)sc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CXCR2 P25025 7/20 0.44
GPR18 Q14330 5/20 0.43
POLB P06746 1/20 0.40
SLC2A1 P11166 1/20 0.40
RAD52 P43351 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38

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
SCHEMBL6866731 0.83 CXCR2 (0.52) CXCR2
SCHEMBL6868308 0.81 CXCR2 (0.51) CXCR2
SCHEMBL6859563 0.78 CXCR2 (0.46) CXCR2
SCHEMBL6997947 0.76 CXCR2 (0.56) KMT2AMEN1CXCR2ALDH1A1KDM4E
SCHEMBL6866063 0.76 CXCR2 (0.52) CXCR2
SCHEMBL842322 0.75 CXCR2 (0.70) CXCR2
SCHEMBL6859565 0.73 CXCR2 (0.63) CXCR2
SCHEMBL6865116 0.70 CXCR2 (0.53) KMT2AMEN1CXCR2ALDH1A1KDM4E
SCHEMBL4236680 0.69 CXCR2 (0.57) KMT2AMEN1CXCR2ALDH1A1KDM4E
SCHEMBL6865509 0.66 GFER (0.44) KMT2ACXCR2POLBALDH1A1

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