SCHEMBL8374086

SCHEMBL8374086

CCCn1c(=O)c2[nH]c(C=Cc3ccc(OC)cc3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.65
ADORA2B P29275 2/20 0.65

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
SCHEMBL8374085 1.00 ADORA2A (0.65) ADORA2AADORA2B
SCHEMBL7729379 0.90 ADORA2A (0.55) ADORA2AADORA2B
SCHEMBL7729375 0.90 ADORA2A (0.55) ADORA2AADORA2B
SCHEMBL7731332 0.89 ADORA2A (0.52) ADORA2AADORA2B
SCHEMBL7729476 0.89 ADORA2A (0.52) ADORA2AADORA2B
SCHEMBL7729466 0.89 ADORA2A (0.52) ADORA2AADORA2B
SCHEMBL7731341 0.89 ADORA2A (0.52) ADORA2AADORA2B
SCHEMBL7395420 0.89 ADORA2A (0.56) ADORA2AADORA2B
SCHEMBL7395415 0.89 ADORA2A (0.56) ADORA2AADORA2B
SCHEMBL8371208 0.86 ADORA2B (0.55) ADORA2AADORA2B

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-0559893-B1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1999-02-03 EP disclosed
US-5756735-A ADENOSINE A2 RECEPTOR ANTAGONISTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-05-26 US disclosed
EP-0559893-A1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-15 EP disclosed