SCHEMBL21135265

SCHEMBL21135265

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 8/20 0.41
PIK3CB P42338 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTOR P42345 5/20 0.35
PIK3CA P42336 5/20 0.35
PIK3R1 P27986 4/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL21135264 0.88 PIKFYVE (0.40) PIKFYVEPIK3CBHSD17B10ALDH1A1TP53
SCHEMBL23272140 0.83 PIKFYVE (0.64) PIKFYVEPIK3CBMTORPIK3CALMNA
SCHEMBL30312313 0.83 PIKFYVE (0.64) PIKFYVEPIK3CBMTORPIK3CALMNA
SCHEMBL23815493 0.78 LMNA (0.43) PIK3CBHSD17B10ALDH1A1TP53CYP1A2
SCHEMBL21135266 0.77 PIKFYVE (0.41) PIKFYVEPIK3CBMTORPIK3CAPIK3R1
SCHEMBL21135267 0.75 PIKFYVE (0.40) PIKFYVEPIK3CBHSD17B10ALDH1A1TP53
SCHEMBL21135268 0.73 PIKFYVE (0.40) PIKFYVEPIK3CBMTORPIK3CAPIK3R1
SCHEMBL23272116 0.72 PIKFYVE (0.64) PIKFYVEPIK3CBMTORPIK3CALMNA
SCHEMBL23272139 0.72 PIKFYVE (0.64) PIKFYVEPIK3CBMTORPIK3CALMNA
SCHEMBL30312455 0.72 PIKFYVE (0.64) PIKFYVEPIK3CBMTORPIK3CALMNA

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