SCHEMBL21135264

SCHEMBL21135264

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 6/20 0.40
MTOR P42345 7/20 0.40
PIK3CA P42336 6/20 0.40
PIK3R1 P27986 5/20 0.40
PIK3CB P42338 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KDM5A P29375 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
SCHEMBL21135265 0.88 PIKFYVE (0.41) PIKFYVEMTORPIK3CAPIK3R1PIK3CB
SCHEMBL30312455 0.82 PIKFYVE (0.64) PIKFYVEMTORPIK3CAPIK3CBGAA
SCHEMBL23272116 0.82 PIKFYVE (0.64) PIKFYVEMTORPIK3CAPIK3CBGAA
SCHEMBL24710650 0.79 MTOR (0.39) MTORPIK3CAPIK3R1PIK3CBGAA
SCHEMBL1856157 0.78 SMN1; SMN2 (0.46) MTORPIK3CAPIK3R1PIK3CBGAA
SCHEMBL21135266 0.78 PIKFYVE (0.41) PIKFYVEMTORPIK3CAPIK3R1PIK3CB
SCHEMBL23804706 0.78 KDM4E (0.42) MTORPIK3CAPIK3R1PIK3CBGAA
SCHEMBL25172897 0.76 GRK6 (0.40) MTORPIK3CAPIK3R1PIK3CBGAA
SCHEMBL23815273 0.76 PIK3CA (0.38) MTORPIK3CAPIK3R1PIK3CBGAA
SCHEMBL30369885 0.76 GRK6 (0.40) MTORPIK3CAPIK3R1PIK3CBGAA

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