SCHEMBL7274376

SCHEMBL7274376

CCCn1c(=O)[nH]c(=S)c2[nH]c(C(C3CC3)C3CC3)nc21

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.68
ADORA2B P29275 2/20 0.68
ADORA1 P30542 1/20 0.46

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
SCHEMBL7277196 0.88 ADORA2A (0.71) ADORA2AADORA2BADORA1
SCHEMBL7423540 0.83 ADORA2A (0.45) ADORA2AADORA2B
SCHEMBL7269959 0.83 ADORA2A (0.80) ADORA2AADORA2B
SCHEMBL2294590 0.81 ADORA2A (1.00) ADORA2AADORA2BADORA1
SCHEMBL30082250 0.79 ADORA2A (0.86) ADORA2AADORA2B
SCHEMBL7425220 0.79 ADORA1 (0.69) ADORA2AADORA2BADORA1
SCHEMBL8127160 0.77 ADORA2A (0.67) ADORA2AADORA2B
SCHEMBL5231623 0.77 ADORA1 (0.73) ADORA2AADORA2BADORA1
SCHEMBL8126083 0.77 ADORA1 (0.77) ADORA2AADORA2BADORA1
SCHEMBL9706669 0.76 ADORA2A (0.45) ADORA2AADORA2BADORA1

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-0423805-B1 Condensed purine derivatives KYOWA HAKKO KOGYO KK (JP) 2000-08-23 EP disclosed
EP-0386675-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1996-06-05 EP disclosed
US-5270316-A Condensed purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-12-14 US disclosed
US-5068236-A Diuretics, renal protective agents and hypotensives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-11-26 US disclosed
EP-0423805-A2 Condensed purine derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1991-04-24 EP disclosed
EP-0386675-A2 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-09-12 EP disclosed