SCHEMBL21135844

SCHEMBL21135844

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.42
PIK3R1 P27986 6/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
MTOR P42345 9/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIKFYVE Q9Y2I7 1/20 0.36
LRRK2 Q5S007 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL21135798 0.90 PIK3CA (0.41) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21135799 0.89 PIK3CA (0.42) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21135831 0.87 PIK3CA (0.42) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21135797 0.86 PIK3CD (0.39) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL30312395 0.84 PIKFYVE (0.58) PIK3CAPIK3CDPIK3CBMTORKMT2A
SCHEMBL21055043 0.84 PIKFYVE (0.58) PIK3CAPIK3CDPIK3CBMTORKMT2A
SCHEMBL17708308 0.77 PIK3CA (0.43) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21135843 0.77 PIKFYVE (0.43) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21054262 0.76 PIKFYVE (0.56) PIK3CAPIK3CDPIK3CBMTORKMT2A
SCHEMBL30312317 0.76 PIKFYVE (0.56) PIK3CAPIK3CDPIK3CBMTORKMT2A

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