SCHEMBL21135843

SCHEMBL21135843

C/C=N/Nc1nc(N2CCOCC2)c2cc(-c3cnco3)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 5/20 0.43
GAA P10253 2/20 0.35
IMPDH2 P12268 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
PIK3CA P42336 6/20 0.33
KDM5A P29375 1/20 0.33
PIK3CD O00329 4/20 0.33
PIK3CB P42338 4/20 0.33
MTOR P42345 4/20 0.33
PIK3R1 P27986 2/20 0.32
PIK3CG P48736 2/20 0.32

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
SCHEMBL23272141 0.85 PIKFYVE (0.64) PIKFYVEGAAPOLBMAPTKDM4E
SCHEMBL30312382 0.85 PIKFYVE (0.64) PIKFYVEGAAPOLBMAPTKDM4E
SCHEMBL21135830 0.82 JAK3 (0.41) PIKFYVEPIK3CAKDM5APIK3CBMTOR
SCHEMBL21135838 0.79 TRPM8 (0.42) PIKFYVEGAAMAPTMEN1MAPK1
SCHEMBL21135798 0.77 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBMTORPIK3R1
SCHEMBL21135844 0.77 PIK3CA (0.42) PIKFYVEGAAPOLBMAPTMEN1
SCHEMBL21135799 0.74 PIK3CA (0.42) MAPK1LMNAPIK3CAPIK3CDPIK3CB
SCHEMBL21135831 0.72 PIK3CA (0.42) PIKFYVEPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL21135797 0.72 PIK3CD (0.39) PIKFYVEPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL21054603 0.70 PIKFYVE (0.55) PIKFYVEGAAPOLBMAPTKDM4E

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