SCHEMBL29135879

SCHEMBL29135879

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
LPL P06858 4/20 0.32
LIPG Q9Y5X9 4/20 0.32
CREBBP Q92793 1/20 0.32
FFAR1 O14842 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PDPK1 O15530 1/20 0.30

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
SCHEMBL30635222 1.00 BRD4 (0.41) BRD4HTR7HTR1ALPLLIPG
SCHEMBL30635216 0.84 BRD4 (0.44) BRD4LPLLIPGFFAR1
SCHEMBL29135871 0.84 BRD4 (0.44) BRD4LPLLIPGFFAR1
SCHEMBL29109175 0.82 HTR7 (0.47) BRD4HTR7HTR1ALPLLIPG
SCHEMBL30635187 0.79 BRD4 (0.48) BRD4
SCHEMBL29135859 0.79 BRD4 (0.48) BRD4
SCHEMBL29135858 0.77 BRD4 (0.42) BRD4LPLLIPGCREBBPFFAR1
SCHEMBL30635243 0.77 BRD4 (0.42) BRD4LPLLIPGCREBBPFFAR1
SCHEMBL30635178 0.76 BRD4 (0.43) BRD4LPLLIPGFFAR1IRAK4
SCHEMBL29135844 0.76 BRD4 (0.43) BRD4LPLLIPGFFAR1IRAK4

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