SCHEMBL21135798

SCHEMBL21135798

C/C=N/Nc1nc(N2CCOCC2)c2cc(C(=O)N3CCOCC3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
MAP4K4 O95819 1/20 0.39
TTK P33981 1/20 0.38
GRM5 P41594 4/20 0.37
MTOR P42345 5/20 0.37
JAK3 P52333 2/20 0.37
BTK Q06187 2/20 0.37
LRRK2 Q5S007 2/20 0.37
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21135797 0.94 PIK3CD (0.39) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL21135844 0.90 PIK3CA (0.42) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL21135799 0.87 PIK3CA (0.42) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL21135831 0.85 PIK3CA (0.42) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL21055523 0.84 PIKFYVE (0.54) PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL30312320 0.84 PIKFYVE (0.54) PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL23272151 0.79 PIKFYVE (0.51) PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL30312332 0.79 PIKFYVE (0.51) PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL21135843 0.77 PIKFYVE (0.43) PIK3CAPIK3R1PIK3CBPIK3CDPIK3CG
SCHEMBL30312317 0.75 PIKFYVE (0.56) PIK3CAPIK3CBPIK3CDMTOR

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