SCHEMBL5229239

SCHEMBL5229239

CSc1nc(=O)n(Cc2ccccc2)c2nc(C3CCCC3)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.61
ADORA1 P30542 7/20 0.47
KMT2A Q03164 3/20 0.46
ADORA2A P29274 7/20 0.46
ADORA2B P29275 5/20 0.46
MEN1 O00255 2/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5229000 0.83 ADORA1 (0.62) ADORA3ADORA1KMT2AADORA2AADORA2B
SCHEMBL6093921 0.81 ADORA2A (0.50) ADORA3ADORA1KMT2AADORA2AADORA2B
SCHEMBL5227169 0.81 ADORA1 (0.65) ADORA3ADORA1KMT2AADORA2AADORA2B
SCHEMBL6093638 0.80 ADORA1 (0.65) ADORA3ADORA1KMT2AADORA2AADORA2B
SCHEMBL8355232 0.80 ADORA3 (0.65) ADORA3ADORA1KMT2AADORA2AADORA2B
SCHEMBL6093414 0.79 ADORA1 (0.61) ADORA3ADORA1KMT2AADORA2AADORA2B
SCHEMBL8358871 0.77 ADORA3 (0.94) ADORA3ADORA1KMT2AADORA2AADORA2B
SCHEMBL8355407 0.76 ADORA3 (1.00) ADORA3ADORA1KMT2AADORA2AADORA2B
SCHEMBL9031703 0.74 PNP (0.58) ADORA3KMT2AADORA2BMEN1POLB
SCHEMBL6093056 0.73 ADORA1 (0.57) ADORA3ADORA1KMT2AADORA2AADORA2B

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