SCHEMBL14267733

SCHEMBL14267733

CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)nn3C)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 20/20 1.00
▸ ADORA1 P30542 13/20 0.87

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
SCHEMBL14267689 0.93 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL14267682 0.89 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL14267702 0.88 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL14267676 0.88 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL14267711 0.88 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL1779911 0.88 ADORA2B (0.79) ADORA2BADORA1
SCHEMBL14267684 0.87 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL14267726 0.87 ADORA2B (1.00) ADORA2BADORA1
SCHEMBL14267731 0.87 ADORA2B (0.83) ADORA2BADORA1
SCHEMBL14267704 0.86 ADORA2B (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 — — US disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 — — US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 — — US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 — — US disclosed
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