SCHEMBL21185241

SCHEMBL21185241

CCc1nc2cccc(C#CC(C)O)c2c(=O)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.50
PIK3CG P48736 12/20 0.50
PIK3CA P42336 10/20 0.50
PIK3R1 P27986 7/20 0.50
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CB P42338 6/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 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
SCHEMBL21185368 0.85 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3R1KCNH2
SCHEMBL21185363 0.84 PIK3CD (0.50) PIK3CDPIK3CGPIK3CAPIK3R1KCNH2
SCHEMBL21174775 0.83 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3R1KCNH2
SCHEMBL21174772 0.83 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3R1KCNH2
SCHEMBL20247392 0.82 ALDH1A1 (0.47) PIK3CDPIK3CGPIK3R1KCNH2ALDH1A1
SCHEMBL21185366 0.82 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3R1KCNH2
SCHEMBL23678125 0.80 PIK3CG (0.49) PIK3CDPIK3CGPIK3CAPIK3R1PIK3CB
SCHEMBL19863998 0.79 PIK3CD (0.50) PIK3CDPIK3CGPIK3CAPIK3R1KCNH2
SCHEMBL24731225 0.78 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3R1ALDH1A1
SCHEMBL16597185 0.78 PDE10A (0.52) PIK3CDPIK3CGPIK3CAPIK3R1KCNH2

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
WO-2019143874-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-07-25 WO disclosed