SCHEMBL29099879

SCHEMBL29099879

CCCCC(C)(CNC(=O)c1cnn(C)c1)Nc1nc(Cl)nc2cc(Br)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 8/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.33
▸ TLR7 Q9NYK1 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ HDAC3 O15379 2/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC7 Q8WUI4 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC10 Q969S8 2/20 0.31
▸ HDAC11 Q96DB2 2/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC9 Q9UKV0 2/20 0.31
▸ HDAC5 Q9UQL6 2/20 0.31
▸ MAP4K1 Q92918 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
SCHEMBL29099899 0.89 AURKB (0.36) TLR8SMN1; SMN2MAPK8LMNAHPGD
SCHEMBL29099897 0.89 AURKB (0.36) TLR8SMN1; SMN2MAPK8LMNAHPGD
SCHEMBL29093607 0.81 TLR8 (0.64) TLR8TLR7SMN1; SMN2MAPK8LMNA
SCHEMBL29093600 0.81 TLR8 (0.64) TLR8TLR7SMN1; SMN2MAPK8LMNA
SCHEMBL23367234 0.79 TLR8 (0.64) TLR8TLR7
SCHEMBL21612967 0.79 TLR8 (0.64) TLR8TLR7
SCHEMBL29758962 0.79 TLR8 (0.64) TLR8TLR7
SCHEMBL29093582 0.76 TLR8 (0.61) TLR8TLR7LMNAHPGD
SCHEMBL30557848 0.75 TLR8 (0.45) TLR8TLR7HDAC3HDAC1HDAC2
SCHEMBL18109610 0.73 TLR8 (0.56) TLR8TLR7

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-116969934-A Pyrimido aromatic ring compounds and application thereof in medicines 广东东阳光药业股份有限公司 2023-10-31 — — CN disclosed
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