SCHEMBL7078407

SCHEMBL7078407

Oc1c(I)cc2[nH]c3cnccc3c2c1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.57
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
KDM5A P29375 5/20 0.45
CHUK O15111 8/20 0.44
IKBKB O14920 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
AURKA O14965 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PIM1 P11309 1/20 0.44
TOP1 P11387 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL7085913 0.73 ADORA3 (1.00) ADORA3ADORA2AADORA1KDM5ACHUK
SCHEMBL31060553 0.73 ADORA3 (1.00) ADORA3ADORA2AADORA1KDM5ACHUK
SCHEMBL7082459 0.73 ADORA3 (0.57) ADORA3ADORA2AADORA1KDM5ACHUK
SCHEMBL30322777 0.70 CHUK (0.78) ADORA3ADORA2AADORA1KDM5ACHUK
SCHEMBL12396541 0.70 CHUK (0.78) ADORA3ADORA2AADORA1KDM5ACHUK
SCHEMBL9427509 0.68 IMPDH2 (0.62) ADORA3ADORA2AADORA1KDM5ACHUK
SCHEMBL7082174 0.68 ADORA3 (0.60) ADORA3ADORA2AKDM5A
SCHEMBL4822655 0.67 KIF11 (0.58) ADORA3ADORA2AADORA1KDM5ACHUK
SCHEMBL6300717 0.67 ADORA3 (0.61) ADORA3ADORA2AADORA1KDM5ACHUK
SCHEMBL2465165 0.66 CHUK (0.50) ADORA3ADORA2AADORA1KDM5ACHUK

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