SCHEMBL5226847

SCHEMBL5226847

CCCn1c(=O)nc(SC)c2[nH]c(-c3c(C)noc3C)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 13/20 0.39
ADORA1 P30542 3/20 0.36
ADORA2A P29274 6/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5230763 0.74 ADORA2B (0.52) ADORA2BADORA1ADORA2AALDH1A1ADORA3
SCHEMBL5230505 0.73 ADORA2B (0.66) ADORA2BADORA1ADORA2AALDH1A1ADORA3
SCHEMBL6092448 0.73 POLB (0.48) ADORA2BADORA1ADORA2A
SCHEMBL6093879 0.72 ADORA1 (0.39) ADORA2BADORA1ADORA2AADORA3
SCHEMBL6093117 0.72 PDE2A (0.44) ADORA2BADORA1ADORA2A
SCHEMBL5229724 0.71 ALDH1A1 (0.52) ADORA2BADORA1ADORA2AALDH1A1ADORA3
SCHEMBL8127160 0.70 ADORA2A (0.67) ADORA2BADORA2A
SCHEMBL5227169 0.70 ADORA1 (0.65) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL6093414 0.70 ADORA1 (0.61) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL5229248 0.70 ADORA1 (0.59) ADORA2BADORA1ADORA2AADORA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092435-B1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO KK (JP) 2007-04-04 EP disclosed
US-6489331-B1 A CONDENSED PURINE DERIVATIVE AS AN ACTIVE INGREDIENT AS AN ENHANCER OF INSULIN SECRETION AND A MEDICAMENT FOR THE TREATMENT OF DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-03 US disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 EP disclosed