SCHEMBL21135267

SCHEMBL21135267

C/C=N/Nc1nc(N2CCOCC2)c2oc(C(=O)N3CCCCC3)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 6/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MTOR P42345 6/20 0.37
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PARP1 P09874 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 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
SCHEMBL21135266 0.95 PIKFYVE (0.41) PIKFYVEKMT2AMAPTMTORPIK3CA
SCHEMBL21135268 0.91 PIKFYVE (0.40) PIKFYVEKMT2AMAPTMTORPIK3CA
SCHEMBL23272130 0.85 PIKFYVE (0.61) PIKFYVEKMT2AMAPTHPGDMTOR
SCHEMBL30312396 0.85 PIKFYVE (0.61) PIKFYVEKMT2AMAPTHPGDMTOR
SCHEMBL21135841 0.82 PIKFYVE (0.52) PIKFYVEMAPTHPGDTSHRHTT
SCHEMBL23272139 0.80 PIKFYVE (0.64) PIKFYVEMEN1KMT2AMAPTHPGD
SCHEMBL30312341 0.80 PIKFYVE (0.64) PIKFYVEMEN1KMT2AMAPTHPGD
SCHEMBL23804677 0.79 NPC1 (0.44) MEN1KMT2AMAPTHPGDTSHR
SCHEMBL23815518 0.78 NPY5R (0.44) MEN1KMT2AMAPTHPGDTSHR
SCHEMBL21135828 0.77 PIKFYVE (0.54) PIKFYVEMAPTHPGDMTORPIK3CA

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