Sugi Predict

Sugi Predict / Compounds / SCHEMBL14267748

SCHEMBL14267748

SCHEMBL14267748

CC(C)Cn1c(=O)c2[nH]c(-c3cc(OCC(=O)Nc4ccc(Br)cc4)n(C)n3)nc2n(CC(C)C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 18/20 1.00
▸ ADORA1 P30542 13/20 1.00
▸ ADORA2A P29274 4/20 0.62
▸ ADORA3 P0DMS8 2/20 0.58

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
SCHEMBL14267708 0.92 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL14267703 0.90 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1780939 0.87 ADORA2B (0.78) ADORA2BADORA1ADORA2AADORA3
SCHEMBL14267706 0.87 ADORA2B (1.00) ADORA2BADORA1ADORA2A
SCHEMBL4759183 0.84 ADORA2B (0.72) ADORA2BADORA1ADORA2AADORA3
SCHEMBL14267747 0.81 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1781908 0.79 ADORA2B (0.78) ADORA2BADORA1ADORA2AADORA3
SCHEMBL14267745 0.79 ADORA2B (1.00) ADORA2BADORA1ADORA2A
SCHEMBL1782219 0.77 ADORA2B (0.78) ADORA2BADORA1ADORA2AADORA3
SCHEMBL14267728 0.76 ADORA2B (1.00) ADORA2BADORA1ADORA2AADORA3

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
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
Send feedback