SCHEMBL30925792

SCHEMBL30925792

N=c1ccc2cnc3ccc(-c4ccc(Cl)cc4)cc3c2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.60
MTOR P42345 3/20 0.60
PIK3CD O00329 1/20 0.60
PIK3C2A O00443 1/20 0.60
PIK3C2B O00750 1/20 0.60
PIK3R1 P27986 1/20 0.60
PIK3CB P42338 1/20 0.60
PIK3CG P48736 1/20 0.60
PRKDC P78527 1/20 0.60
ATM Q13315 1/20 0.60
ATR Q13535 1/20 0.60
RPTOR Q8N122 1/20 0.60
PIK3C3 Q8NEB9 1/20 0.60
MLST8 Q9BVC4 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
PI4KB Q9UBF8 1/20 0.60
BLK P51451 1/20 0.44
BMX P51813 1/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL21552689 1.00 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16719220 0.88 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL30925847 0.88 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL21561109 0.88 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL30925813 0.87 MTOR (0.80) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL21552722 0.87 MTOR (0.80) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL23522537 0.83 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL30925843 0.83 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL21552718 0.82 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL30925839 0.82 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3C2APIK3C2B

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-118206551-A Quinoline compounds, their preparation and their use as antimalarial agents 美国卫生和人力服务部 2024-06-18 CN disclosed