SCHEMBL7082174

SCHEMBL7082174

Cn1c2cnccc2c2c(I)c(O)c(I)cc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.60
ADORA2A P29274 1/20 0.60
TOP2A P11388 1/20 0.41
HASPIN Q8TF76 1/20 0.37
ROCK2 O75116 3/20 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 11/20 0.34

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 0.74 ADORA3 (0.60) ADORA3ADORA2ATOP2AROCK2KDM5A
SCHEMBL7083487 0.74 ADORA3 (0.60) ADORA3ADORA2ATOP2AROCK2KDM5A
SCHEMBL7084039 0.74 ADORA3 (0.60) ADORA3ADORA2ATOP2AROCK2KDM5A
SCHEMBL1609661 0.72 ADORA3 (0.54) ADORA3ADORA2ATOP2AHASPINROCK2
SCHEMBL11490005 0.70 ADORA3 (0.62) ADORA3ADORA2ATOP2AROCK2NFATC1
SCHEMBL6046305 0.69 ADORA3 (0.54) ADORA3ADORA2AHASPINROCK2NFATC1
SCHEMBL7078407 0.68 ADORA3 (0.57) ADORA3ADORA2AKDM5A
SCHEMBL2628358 0.66 ADORA3 (0.49) ADORA3ADORA2ATOP2AROCK2NFATC1
SCHEMBL21807514 0.65 KDM4E (0.53) ADORA3ADORA2AROCK2KDM5ANFATC1
SCHEMBL30929605 0.64 GPR3 (0.64) 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 4 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
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