SCHEMBL30822674

SCHEMBL30822674

C[C@H](N)c1cc2c(Cl)ccc(F)c2c(=O)n1-c1cc[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.32
PIK3CB P42338 5/20 0.32
PIK3CG P48736 2/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 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
SCHEMBL29164843 1.00 PIK3CD (0.32) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL29164848 1.00 PIK3CD (0.32) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL29164791 0.91 PIK3CD (0.35) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL29164788 0.91 PIK3CD (0.35) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL30822648 0.91 PIK3CD (0.35) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL29164581 0.81 IDO1 (0.34) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL30822738 0.81 IDO1 (0.34) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL29164584 0.81 IDO1 (0.34) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL29164685 0.80 PIK3CD (0.38) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA
SCHEMBL30822682 0.80 PIK3CD (0.38) PIK3CDPIK3CBPIK3CGPIK3R1PIK3CA

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