SCHEMBL29135844

SCHEMBL29135844

Cc1nn(C)cc1-c1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
FFAR1 O14842 1/20 0.34
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
COMT P21964 1/20 0.32
LPL P06858 3/20 0.32
LIPG Q9Y5X9 3/20 0.32
ALDH1A1 P00352 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 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
SCHEMBL30635178 1.00 BRD4 (0.43) BRD4FFAR1PDGFRBKDRPIK3CD
SCHEMBL29135873 0.83 BRD4 (0.47) BRD4FFAR1PDGFRBKDRLPL
SCHEMBL30635247 0.83 BRD4 (0.47) BRD4FFAR1PDGFRBKDRLPL
SCHEMBL29135858 0.77 BRD4 (0.42) BRD4FFAR1PDGFRBKDRLPL
SCHEMBL30635243 0.77 BRD4 (0.42) BRD4FFAR1PDGFRBKDRLPL
SCHEMBL2320747 0.77 MKNK1 (0.43) FFAR1LPLLIPGIRAK4
SCHEMBL30635222 0.76 BRD4 (0.41) BRD4FFAR1LPLLIPGIRAK4
SCHEMBL29135879 0.76 BRD4 (0.41) BRD4FFAR1LPLLIPGIRAK4
SCHEMBL21354170 0.74 LPL (0.44) PDGFRBKDRLPLLIPGIRAK4
SCHEMBL12373176 0.73 LPL (0.44) FFAR1LPLLIPGIRAK4

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