SCHEMBL29135871

SCHEMBL29135871

CCn1nc(C)c(-c2cncc(B3OC(C)(C)C(C)(C)O3)c2)c1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
FFAR1 O14842 1/20 0.32
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31

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
SCHEMBL30635216 1.00 BRD4 (0.44) BRD4BRD2BRD3BRDTFFAR1
SCHEMBL30635187 0.85 BRD4 (0.48) BRD4BRD2BRD3BRDT
SCHEMBL29135859 0.85 BRD4 (0.48) BRD4BRD2BRD3BRDT
SCHEMBL30635222 0.84 BRD4 (0.41) BRD4FFAR1LPLLIPG
SCHEMBL29135879 0.84 BRD4 (0.41) BRD4FFAR1LPLLIPG
SCHEMBL30635223 0.83 BRD4 (0.50) BRD4BRD2BRD3BRDT
SCHEMBL30635238 0.83 BRD4 (0.50) BRD4BRD2BRD3BRDT
SCHEMBL29135847 0.83 BRD4 (0.50) BRD4BRD2BRD3BRDT
SCHEMBL29135843 0.83 BRD4 (0.50) BRD4BRD2BRD3BRDT
SCHEMBL30635230 0.82 BRD4 (0.51) BRD4BRD2BRD3BRDT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050074-A Pyridine bisimidazopyridine compound and preparation method and application thereof 中国药科大学 2023-11-14 CN disclosed