SCHEMBL5231865

SCHEMBL5231865

CCCn1c(=O)nc(SC)c2c1nc(C1CCCC1)n2C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.64
ADORA2B P29275 7/20 0.64
KMT2A Q03164 2/20 0.43
ADORA1 P30542 3/20 0.39
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
HIF1A Q16665 1/20 0.39

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
SCHEMBL5935758 0.78 ADORA2A (1.00) ADORA2AADORA2BKMT2AADORA1MEN1
SCHEMBL5453936 0.77 ADORA2A (1.00) ADORA2AADORA2BKMT2AADORA1MEN1
SCHEMBL8132199 0.76 ADORA2B (0.58) ADORA2AADORA2BKMT2AADORA1MEN1
SCHEMBL5227169 0.75 ADORA1 (0.65) ADORA2AADORA2BKMT2AADORA1MEN1
SCHEMBL6093638 0.74 ADORA1 (0.65) ADORA2AADORA2BKMT2AADORA1MEN1
SCHEMBL6093414 0.72 ADORA1 (0.61) ADORA2AADORA2BKMT2AADORA1MEN1
SCHEMBL5742960 0.71 ADORA2A (0.39) ADORA2AADORA2BKMT2AADORA1MEN1
SCHEMBL8132564 0.69 PDE4A (0.56) ADORA2AADORA2BCYP1A2PMP22
SCHEMBL3229056 0.68 ADORA2A (0.73) ADORA2AADORA2BKMT2AADORA1LMNA
SCHEMBL9032193 0.68 PDE4A (0.55) ADORA2AADORA2BCYP1A2PMP22

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 6 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
EP-0423805-B1 Condensed purine derivatives KYOWA HAKKO KOGYO KK (JP) 2000-08-23 EP disclosed
US-5270316-A Condensed purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-12-14 US disclosed
EP-0423805-A2 Condensed purine derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1991-04-24 EP disclosed