SCHEMBL21135840

SCHEMBL21135840

C=NNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.42
PIK3CA P42336 7/20 0.42
PIK3R1 P27986 6/20 0.42
NPY5R Q15761 3/20 0.39
STAT3 P40763 3/20 0.37
SETD2 Q9BYW2 1/20 0.37
PTPN11 Q06124 1/20 0.36
PIKFYVE Q9Y2I7 2/20 0.36
PIK3CB P42338 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30312433 0.81 PIKFYVE (0.61) MTORPIK3CAPIKFYVEPIK3CBKDM4E
SCHEMBL21054891 0.81 PIKFYVE (0.61) MTORPIK3CAPIKFYVEPIK3CBKDM4E
SCHEMBL21135486 0.75 PIK3CD (0.41) MTORPIK3CAPIK3R1NPY5RSTAT3
SCHEMBL21135783 0.75 PIK3CD (0.46) MTORPIK3CAPIK3R1NPY5RSTAT3
SCHEMBL21135407 0.75 PIK3CD (0.44) MTORPIK3CAPIK3R1NPY5RSTAT3
SCHEMBL21135404 0.75 PIK3R1 (0.51) MTORPIK3CAPIK3R1NPY5RSTAT3
SCHEMBL21135300 0.75 PIKFYVE (0.44) MTORPIK3CAPIK3R1NPY5RSTAT3
SCHEMBL21135293 0.74 MAPT (0.46) MTORPIK3CAPIK3R1STAT3SETD2
SCHEMBL21135409 0.74 PIK3CD (0.47) NPY5RSTAT3SETD2ALDH1A1LMNA
SCHEMBL21135499 0.73 FLT3 (0.41) MTORPIK3CAPIK3R1NPY5RSTAT3

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