SCHEMBL21135268

SCHEMBL21135268

C/C=N/Nc1nc(N2CCOCC2)c2oc(C(=O)N3CCNCC3)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 6/20 0.40
PIK3CD O00329 2/20 0.36
MTOR P42345 8/20 0.36
PIK3CA P42336 3/20 0.35
PIK3CB P42338 2/20 0.35
PARP1 P09874 1/20 0.35
PIK3CG P48736 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PIK3R1 P27986 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KDM5A P29375 1/20 0.34
KMT2A Q03164 1/20 0.33
FLT3 P36888 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
SCHEMBL21135266 0.93 PIKFYVE (0.41) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL21135267 0.91 PIKFYVE (0.40) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL23272115 0.85 PIKFYVE (0.59) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL30312358 0.85 PIKFYVE (0.59) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL21135835 0.83 PIKFYVE (0.53) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL23272139 0.78 PIKFYVE (0.64) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL30312341 0.78 PIKFYVE (0.64) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL23272130 0.76 PIKFYVE (0.61) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL30312396 0.76 PIKFYVE (0.61) PIKFYVEPIK3CDMTORPIK3CAPIK3CB
SCHEMBL21135797 0.76 PIK3CD (0.39) PIKFYVEPIK3CDMTORPIK3CAPIK3CB

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