SCHEMBL5226057

SCHEMBL5226057

CCCn1c(=O)[nH]c(=O)c2[nH]c(C(C)C)nc21

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.56
ADORA2B P29275 6/20 0.56
ADORA1 P30542 2/20 0.56
ADORA3 P0DMS8 1/20 0.54
HPGD P15428 1/20 0.54
PDE4A P27815 1/20 0.54
BLM P54132 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
PDE3A Q14432 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL11017605 0.88 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3HPGD
SCHEMBL7423540 0.86 ADORA2A (0.45) ADORA2AADORA2B
SCHEMBL7277196 0.82 ADORA2A (0.71) ADORA2AADORA2BADORA1ADORA3HPGD
SCHEMBL11015546 0.80 ADORA2A (0.54) ADORA2AADORA2BADORA1ADORA3HPGD
SCHEMBL7425894 0.79 ADORA2A (0.53) ADORA2AADORA2B
SCHEMBL4623457 0.79 ADORA2A (0.59) ADORA2AADORA2BADORA1ADORA3HPGD
SCHEMBL3180528 0.79 ADORA2A (0.59) ADORA2AADORA2BADORA1ADORA3HPGD
SCHEMBL2958488 0.78 ADORA2A (0.58) ADORA2AADORA2BADORA1ADORA3HPGD
SCHEMBL7426524 0.77 KMT2A (0.43) ADORA2AADORA2BHPGDHSD17B10
SCHEMBL11019581 0.77 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3HPGD

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
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
US-4546182-A TREATMENT OF RESPIRATORY AND CARDIO-VASCULAR DISORDERS AKTIEBOLAGET DRACO (SE) 1985-10-08 US disclosed