SCHEMBL21135828

SCHEMBL21135828

C/C=N/Nc1nc(N2CCOCC2)c2sc(C(=O)N3CCOCC3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 7/20 0.54
PIK3CA P42336 8/20 0.52
PIK3R1 P27986 6/20 0.52
MTOR P42345 4/20 0.45
PIK3CD O00329 1/20 0.41
AKT1 P31749 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21135841 0.95 PIKFYVE (0.52) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL21135835 0.94 PIKFYVE (0.53) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL23272104 0.84 PIKFYVE (0.76) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL30312501 0.84 PIKFYVE (0.76) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL21135266 0.81 PIKFYVE (0.41) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL23272145 0.81 PIKFYVE (0.73) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL30312357 0.81 PIKFYVE (0.73) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL23272105 0.79 PIKFYVE (0.74) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL30312352 0.79 PIKFYVE (0.74) PIKFYVEPIK3CAPIK3R1MTORPIK3CD
SCHEMBL21135267 0.77 PIKFYVE (0.40) PIKFYVEPIK3CAPIK3R1MTORPIK3CD

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