SCHEMBL5229248

SCHEMBL5229248

CCCn1c(=O)nc(SC)c2[nH]c(CC3CC3)nc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.59
ADORA2A P29274 7/20 0.59
ADORA2B P29275 6/20 0.59
MEN1 O00255 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
PDE5A O76074 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
SCHEMBL6092448 0.84 POLB (0.48) ADORA1ADORA2AADORA2B
SCHEMBL6093879 0.81 ADORA1 (0.39) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5231383 0.81 HTT (0.42) ADORA1ADORA2AADORA2B
SCHEMBL6093533 0.80 ADORA1 (0.39) ADORA1ADORA2AADORA2B
SCHEMBL6094804 0.79 ADORA1 (0.39) ADORA1ADORA2AADORA2B
SCHEMBL8127160 0.79 ADORA2A (0.67) ADORA2AADORA2B
SCHEMBL5227169 0.79 ADORA1 (0.65) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL6093414 0.79 ADORA1 (0.61) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL6093909 0.78 ADORA1 (0.43) ADORA1ADORA2AADORA2BCYP1A2ADORA3
SCHEMBL6093638 0.78 ADORA1 (0.65) ADORA1ADORA2AADORA2BMEN1GMNN

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