SCHEMBL8372573

SCHEMBL8372573

CCCn1c(=O)c2[nH]c(/C=C/c3cccnc3)nc2n(CCC)c1=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.53
▸ ADORA2B P29275 1/20 0.53

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
SCHEMBL8372576 1.00 ADORA2A (0.53) ADORA2AADORA2B
SCHEMBL7396871 0.88 KDM4E (0.62) ADORA2AADORA2B
SCHEMBL7396869 0.88 KDM4E (0.62) ADORA2AADORA2B
SCHEMBL7722847 0.83 — —
SCHEMBL7722853 0.83 — —
SCHEMBL7728633 0.82 ADORA2B (0.55) ADORA2B
SCHEMBL7728626 0.82 ADORA2B (0.55) ADORA2B
SCHEMBL8371208 0.81 ADORA2B (0.55) ADORA2AADORA2B
SCHEMBL8371211 0.81 ADORA2B (0.55) ADORA2AADORA2B
SCHEMBL6046607 0.81 ADORA2A (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
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