SCHEMBL30822702

SCHEMBL30822702

Cc1cccc2cc([C@H](C)N)n(-c3cc[nH]n3)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 3/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CD O00329 10/20 0.37
PIK3CG P48736 3/20 0.37
CYP1A2 P05177 1/20 0.35
PIK3R2 O00459 1/20 0.31
ABCB11 O95342 1/20 0.30
TBXA2R P21731 1/20 0.30
HTR2A P28223 1/20 0.30
PIK3CB P42338 1/20 0.30
PDE3A Q14432 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
SCHEMBL29164811 1.00 PIK3R1 (0.38) PIK3R1PIK3CAPIK3CDPIK3CGCYP1A2
SCHEMBL29164806 1.00 PIK3R1 (0.38) PIK3R1PIK3CAPIK3CDPIK3CGCYP1A2
SCHEMBL30822717 0.87 PIK3CD (0.41) PIK3R1PIK3CAPIK3CDPIK3CGPIK3R2
SCHEMBL29164841 0.87 PIK3CD (0.41) PIK3R1PIK3CAPIK3CDPIK3CGPIK3R2
SCHEMBL29164685 0.87 PIK3CD (0.38) PIK3R1PIK3CAPIK3CDPIK3CGPIK3R2
SCHEMBL29164687 0.87 PIK3CD (0.38) PIK3R1PIK3CAPIK3CDPIK3CGPIK3R2
SCHEMBL30822682 0.87 PIK3CD (0.38) PIK3R1PIK3CAPIK3CDPIK3CGPIK3R2
SCHEMBL29164838 0.87 PIK3CD (0.41) PIK3R1PIK3CAPIK3CDPIK3CGPIK3R2
SCHEMBL29164574 0.84 CYP1A2 (0.38) PIK3R1PIK3CAPIK3CDPIK3CGCYP1A2
SCHEMBL30822689 0.84 CYP1A2 (0.38) PIK3R1PIK3CAPIK3CDPIK3CGCYP1A2

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