SCHEMBL6866145

SCHEMBL6866145

Nc1nc2[nH]c(SCC=Cc3ccccc3)nc(=O)c2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
CXCR2 P25025 3/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL6866142 1.00 MEN1 (0.49) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL841338 0.80 CXCR2 (0.66) NPC1MAPTCXCR2ALDH1A1TSHR
SCHEMBL6866758 0.74 MEN1 (0.57) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL6868838 0.70 CTSB (0.52) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL24559103 0.70 MEN1 (0.51) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL6864187 0.70 KMT2A (0.60) MEN1KMT2ACXCR2TSHRRAB9A
SCHEMBL6859583 0.70 USP2 (0.54) MEN1KMT2AATMCXCR2ALDH1A1
SCHEMBL6859513 0.69 CXCR2 (0.65) CXCR2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6866177 0.68 CXCR2 (0.46) MEN1KMT2AMAPTCXCR2ALDH1A1
SCHEMBL24559319 0.67 NPC1 (0.48) MEN1KMT2ANPC1MAPK1MAPT

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