SCHEMBL5970424

SCHEMBL5970424

NCc1ccc(CNc2ccc(-n3c(=O)[nH]c4nc[nH]c4c3=O)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.40
▸ ADORA3 P0DMS8 6/20 0.40
▸ ADORA2A P29274 4/20 0.39
▸ PDE4A P27815 3/20 0.39
▸ PDE4B Q07343 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ TLR7 Q9NYK1 1/20 0.35
▸ FLT3 P36888 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5970280 0.84 KMT2A (0.46) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5971083 0.82 ATM (0.49) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5970236 0.81 ADORA2B (0.49) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5970029 0.77 ABL1 (0.43) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5970228 0.77 ADORA2B (0.45) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5970321 0.75 ADORA2A (0.47) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5970475 0.71 ADORA2B (0.49) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL378878 0.69 ADORA2B (0.58) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5971494 0.68 GPR119 (0.45) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5970432 0.67 ALDH1A1 (0.38) TLR7FLT3KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658291-A2 SUBSTITUTED 8-HETEROARYL XANTHINES Adenosine Therapeutics, LLC (US) 2006-05-24 — — EP disclosed
WO-2005021548-A2 SUBSTITUTED 8-HETEROARYL XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2005-03-10 — — WO disclosed
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