SCHEMBL21135797

SCHEMBL21135797

C/C=N/Nc1nc(N2CCOCC2)c2cc(C(=O)N3CCNCC3)cn2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
PIK3CA P42336 4/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 1/20 0.39
MTOR P42345 4/20 0.38
MAP4K4 O95819 1/20 0.35
FLT3 P36888 2/20 0.34
TTK P33981 1/20 0.34
CDK6 Q00534 1/20 0.34
JAK3 P52333 2/20 0.33
BTK Q06187 2/20 0.33
PIKFYVE Q9Y2I7 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL21135798 0.94 PIK3CA (0.41) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL21135844 0.86 PIK3CA (0.42) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL23272151 0.85 PIKFYVE (0.51) PIK3CDPIK3CAPIK3CBMTORPIKFYVE
SCHEMBL30312332 0.85 PIKFYVE (0.51) PIK3CDPIK3CAPIK3CBMTORPIKFYVE
SCHEMBL21135799 0.83 PIK3CA (0.42) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL21135831 0.81 PIK3CA (0.42) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL30312320 0.79 PIKFYVE (0.54) PIK3CDPIK3CAPIK3CBMTORPIKFYVE
SCHEMBL21055523 0.79 PIKFYVE (0.54) PIK3CDPIK3CAPIK3CBMTORPIKFYVE
SCHEMBL24100545 0.79 PIK3CD (0.42) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL21135268 0.76 PIKFYVE (0.40) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed