SCHEMBL29081248

SCHEMBL29081248

CC1CC=C(c2ccc3nn(C4CCCN(C)C4)cc3c2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.37
▸ CHEK2 O96017 2/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.33
▸ MELK Q14680 1/20 0.32
▸ MLLT1 Q03111 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 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
▸ EPHB4 P54760 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29081246 1.00 TLR8 (0.37) TLR8CHEK2GPR119HCAR1MELK
SCHEMBL29081922 1.00 TLR8 (0.37) TLR8CHEK2GPR119HCAR1MELK
SCHEMBL25912068 0.96 TLR8 (0.38) TLR8CHEK2GPR119MELKPIK3CD
SCHEMBL29081533 0.96 TLR8 (0.38) TLR8CHEK2GPR119MELKPIK3CD
SCHEMBL29081534 0.96 TLR8 (0.38) TLR8CHEK2GPR119MELKPIK3CD
SCHEMBL25912011 0.96 TLR8 (0.38) TLR8CHEK2GPR119MELKPIK3CD
SCHEMBL29081867 0.92 TLR8 (0.38) TLR8GPR119PIK3CDPIK3CAPIK3CB
SCHEMBL29081866 0.92 TLR8 (0.38) TLR8GPR119PIK3CDPIK3CAPIK3CB
SCHEMBL25911939 0.92 TLR8 (0.40) TLR8CHEK2GPR119PIK3CDPIK3CA
SCHEMBL25430306 0.89 IRAK4 (0.34) TLR8CHEK2GPR119PIK3CDSRC

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-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 — — CN disclosed
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