SCHEMBL21135266

SCHEMBL21135266

C/C=N/Nc1nc(N2CCOCC2)c2oc(C(=O)N3CCOCC3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 6/20 0.41
MTOR P42345 8/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CD O00329 1/20 0.38
PARP1 P09874 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PIK3R1 P27986 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.36
THRB P10828 1/20 0.36
KDM5A P29375 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21135267 0.95 PIKFYVE (0.40) PIKFYVEMTORPIK3CAPIK3CDPARP1
SCHEMBL21135268 0.93 PIKFYVE (0.40) PIKFYVEMTORPIK3CAPIK3CDPARP1
SCHEMBL23272139 0.84 PIKFYVE (0.64) PIKFYVEMTORPIK3CAPIK3CDPIK3CB
SCHEMBL30312341 0.84 PIKFYVE (0.64) PIKFYVEMTORPIK3CAPIK3CDPIK3CB
SCHEMBL21135828 0.81 PIKFYVE (0.54) PIKFYVEMTORPIK3CAPIK3CDPIK3CB
SCHEMBL30312396 0.80 PIKFYVE (0.61) PIKFYVEMTORPIK3CAPIK3CDPIK3CB
SCHEMBL23272130 0.80 PIKFYVE (0.61) PIKFYVEMTORPIK3CAPIK3CDPIK3CB
SCHEMBL23272115 0.79 PIKFYVE (0.59) PIKFYVEMTORPIK3CAPIK3CDPIK3CB
SCHEMBL30312358 0.79 PIKFYVE (0.59) PIKFYVEMTORPIK3CAPIK3CDPIK3CB
SCHEMBL21135264 0.78 PIKFYVE (0.40) PIKFYVEMTORPIK3CAPIK3CBPIK3R1

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