SCHEMBL7083487

SCHEMBL7083487

Cn1c2cnccc2c2c(Br)c(O)c(Br)cc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.60
ADORA2A P29274 3/20 0.60
ADORA1 P30542 1/20 0.51
TOP2A P11388 1/20 0.41
ROCK2 O75116 5/20 0.36
KDM5A P29375 1/20 0.35
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPT P10636 6/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL29369522 1.00 ADORA3 (0.60) ADORA3ADORA2AADORA1TOP2AROCK2
SCHEMBL7083957 0.78 ADORA3 (0.46) ADORA3ADORA2AADORA1TOP2AROCK2
SCHEMBL7082174 0.74 ADORA3 (0.60) ADORA3ADORA2ATOP2AROCK2KDM5A
SCHEMBL7084039 0.74 ADORA3 (0.60) ADORA3ADORA2ATOP2AROCK2KDM5A
SCHEMBL1609661 0.72 ADORA3 (0.54) ADORA3ADORA2ATOP2AROCK2NFATC1
SCHEMBL29856228 0.70 ADORA3 (0.46) ADORA3ADORA2AADORA1ROCK2MAPT
SCHEMBL11490005 0.70 ADORA3 (0.62) ADORA3ADORA2ATOP2AROCK2NFATC1
SCHEMBL6046305 0.69 ADORA3 (0.54) ADORA3ADORA2AROCK2NFATC1GSK3B
SCHEMBL2718632 0.69 ADORA3 (0.44) ADORA3ADORA2ATOP2AROCK2KDM5A
SCHEMBL2722137 0.68 ADORA3 (0.46) ADORA3ADORA2ATOP2AROCK2NFATC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030148259-A1 Method of identifying insulin secretion stimulating compounds, and the use of such compounds in treating insulin-secretion related disorders KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 US claimed
WO-2003065036-A1 METHOD OF IDENTIFYING INSULIN SECRETION STIMULATING COMPOUNDS, AND THE USE OF SUCH COMPOUNDS IN TREATING INSULIN-SECRETION RELATED DISORDERS KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 WO claimed
WO-2009141627-A1 TREATING NIEMANN-PICK DISEASE TYPE C AND RELATED DISORDERS BY ELEVATING INTRACELLULAR CALCIUM ISIS INNOVATION LIMITED (GB) 2009-11-26 WO disclosed
US-20030148259-A1 Method of identifying insulin secretion stimulating compounds, and the use of such compounds in treating insulin-secretion related disorders KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 US disclosed
WO-2003065036-A1 METHOD OF IDENTIFYING INSULIN SECRETION STIMULATING COMPOUNDS, AND THE USE OF SUCH COMPOUNDS IN TREATING INSULIN-SECRETION RELATED DISORDERS KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 WO disclosed