SCHEMBL30822663

SCHEMBL30822663

CC(O)Cn1ccc(-n2ccc3cccc(Cl)c3c2=O)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
PIK3CD O00329 10/20 0.32
PIK3CG P48736 10/20 0.32
PIK3R1 P27986 3/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
PIK3R2 O00459 7/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ERCC5 P28715 1/20 0.30
FEN1 P39748 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
SCHEMBL30822722 0.82 HEXA (0.36) JAK2JAK1TYK2JAK3RAB9A
SCHEMBL30822665 0.79 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL29164536 0.79 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL29164533 0.79 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL30822687 0.68 JAK2 (0.39) JAK2JAK1TYK2JAK3MEN1
SCHEMBL30822667 0.68 JAK2 (0.39) JAK2JAK1TYK2JAK3RAB9A
SCHEMBL30822700 0.68 JAK2 (0.37) JAK2JAK1TYK2JAK3ERCC5
SCHEMBL30541884 0.66 POLB (0.45) JAK2JAK1TYK2JAK3RAB9A
SCHEMBL30822652 0.65 JAK2 (0.39) JAK2JAK1TYK2JAK3MEN1
SCHEMBL31743137 0.64 MAPT (0.42) MEN1KMT2AERCC5FEN1

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-117659001-A Aminopyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-03-08 CN disclosed