SCHEMBL29164684

SCHEMBL29164684

C[C@H](N)c1cc2cccc(Cl)c2c(=O)n1-c1ccn(CCO)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.42
PIK3CG P48736 20/20 0.42
PIK3R1 P27986 4/20 0.42
PIK3R2 O00459 15/20 0.39

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
SCHEMBL29164686 1.00 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL30822656 1.00 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL29164536 0.88 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL30822665 0.88 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL29164533 0.88 PIK3CD (0.42) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL16629062 0.78 PIK3CD (0.43) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL29164678 0.77 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL30822703 0.77 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL29164675 0.77 PIK3CD (0.40) PIK3CDPIK3CGPIK3R1PIK3R2
SCHEMBL14654831 0.76 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1PIK3R2

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