SCHEMBL6135922

SCHEMBL6135922

CCCn1c(=O)c2[nH]c(-c3cc(NC(N)=O)nn3C)nc2n(CCC)c1=O

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 20/20 0.76
▸ ADORA1 P30542 15/20 0.76

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
SCHEMBL14517840 0.87 ADORA2B (0.88) ADORA2BADORA1
SCHEMBL5823245 0.87 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL1568723 0.86 ADORA2B (0.80) ADORA2BADORA1
Hydrochloric Acid SCHEMBL1568738 0.86 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL14267711 0.84 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL14267682 0.83 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL6135851 0.82 ADORA2B (0.79) ADORA2BADORA1
SCHEMBL14267676 0.82 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL1780827 0.82 ADORA2B (0.73) ADORA2BADORA1
SCHEMBL1780309 0.82 ADORA2B (0.73) ADORA2BADORA1

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-1469856-A4 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2005-06-22 — — EP claimed
EP-1469856-A2 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2004-10-27 — — EP claimed
WO-2003063800-A2 8-HETEROARYL XANTHINE ADENOSINE A2B RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-08-07 — — WO claimed
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