SCHEMBL22650841

SCHEMBL22650841

CN(C)C1CCN(C(=O)c2ccc(N)c(F)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.56
PDK2 Q15119 1/20 0.53
PDE4B Q07343 1/20 0.49
HTR7 P34969 1/20 0.49
ATR Q13535 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
HSD11B1 P28845 1/20 0.45
MCHR1 Q99705 1/20 0.45
MAP4K4 O95819 1/20 0.45
KDM1A O60341 1/20 0.45

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
SCHEMBL15651449 0.83 HSD11B1 (0.48) L3MBTL3L3MBTL1HSD11B1KDM1A
SCHEMBL15651448 0.83 HSD11B1 (0.48) L3MBTL3L3MBTL1HSD11B1KDM1A
SCHEMBL2887251 0.81 L3MBTL3 (0.69) L3MBTL3PDK2ATRL3MBTL1HRH3
SCHEMBL22165523 0.81 L3MBTL3 (0.69) L3MBTL3PDK2ATRL3MBTL1HRH3
SCHEMBL24185218 0.81 L3MBTL3 (0.69) L3MBTL3PDK2ATRL3MBTL1HRH3
SCHEMBL19321958 0.79 ALDH1A1 (0.63) L3MBTL3PDK2HTR7L3MBTL1HRH3
SCHEMBL2987028 0.79 L3MBTL3 (0.69) L3MBTL3PDK2ATRL3MBTL1HRH3
SCHEMBL13451259 0.79 HSD11B1 (0.52) L3MBTL3HTR7L3MBTL1HSD11B1KDM1A
SCHEMBL22164624 0.78 ATR (0.52) L3MBTL3PDK2ATRMAP4K4
SCHEMBL22164625 0.78 ATR (0.52) L3MBTL3PDK2ATRMAP4K4

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed