SCHEMBL21135405

SCHEMBL21135405

CNNc1nc(N2CCOCC2)c2nc(C(=O)NC3CCNCC3)oc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
FLT3 P36888 2/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 4/20 0.34
MTOR P42345 4/20 0.34
MAPK14 Q16539 2/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
MAPK9 P45984 1/20 0.33
STAT3 P40763 1/20 0.33
PIK3CG P48736 2/20 0.33
BRD4 O60885 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL21054849 0.77 PIKFYVE (0.60) PIK3CDPIK3CAMTOR
SCHEMBL30312424 0.77 PIKFYVE (0.60) PIK3CDPIK3CAMTOR
SCHEMBL21135499 0.77 FLT3 (0.41) CNR2FLT3PIK3CDPIK3CAMTOR
SCHEMBL21054122 0.73 PIKFYVE (0.62) FLT3PIK3CDPIK3CAMTOR
SCHEMBL30312515 0.73 PIKFYVE (0.62) FLT3PIK3CDPIK3CAMTOR
SCHEMBL21135863 0.73 PIK3CD (0.51) PIK3CDPIK3CG
SCHEMBL21135486 0.69 PIK3CD (0.41) CNR2PIK3CDPIK3CAMTORMAPK14
SCHEMBL21135489 0.69 PIK3CD (0.64) CNR2PIK3CDSTAT3PIK3CG
SCHEMBL30312417 0.69 PIKFYVE (0.58) PIK3CDPIK3CAMTOR
SCHEMBL30312443 0.69 PIKFYVE (0.58) PIK3CDPIK3CAMTOR

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