SCHEMBL21649572

SCHEMBL21649572

CNCC(=O)N1C[C@H](O)C[C@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
VHL P40337 1/20 0.39
PIK3CD O00329 3/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CG P48736 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 6/20 0.33
DPP8 Q6V1X1 6/20 0.33
DPP9 Q86TI2 6/20 0.33
CNR2 P34972 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
FAP Q12884 1/20 0.31
MMP2 P08253 3/20 0.31
ANPEP P15144 3/20 0.31
ACE P12821 1/20 0.31

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
SCHEMBL10215042 0.80 ATM (0.42) ATMVHLPIK3CDPIK3CAPIK3CG
SCHEMBL22796893 0.79 ATM (0.42) ATMVHLPIK3CDPIK3CAPIK3CG
SCHEMBL7945978 0.79 ATM (0.42) ATMVHLPIK3CDPIK3CAPIK3CG
SCHEMBL22511873 0.79 ATM (0.42) ATMVHLPIK3CDPIK3CAPIK3CG
SCHEMBL22511867 0.79 ATM (0.42) ATMVHLPIK3CDPIK3CAPIK3CG
SCHEMBL22512115 0.79 ATM (0.42) ATMVHLPIK3CDPIK3CAPIK3CG
SCHEMBL8249263 0.78 MEN1 (0.42) ATMPIK3CDPIK3CAPIK3CGALDH1A1
SCHEMBL23205213 0.77 SMN1; SMN2 (0.50) ATMVHLPIK3CDPIK3CAPIK3CG
SCHEMBL28265994 0.77 ATM (0.40) ATMVHLPIK3CDPIK3CAPIK3CG
SCHEMBL23201647 0.75 ATM (0.69) ATMVHLPIK3CDPIK3CAPIK3CG

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-2020023851-A1 BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE YALE UNIVERSITY (US) 2020-01-30 WO disclosed