SCHEMBL3345906

SCHEMBL3345906

COCc1cc(N2CCN(CC=O)CC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
RAD52 P43351 2/20 0.44
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
RECQL P46063 1/20 0.38
PTK2B Q14289 1/20 0.38
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 2/20 0.35
HPGD P15428 1/20 0.35
DRD2 P14416 2/20 0.34
KCNH2 Q12809 1/20 0.34
LGMN Q99538 1/20 0.34
USP25 Q9UHP3 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 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
SCHEMBL3346858 0.83 GAA (0.43) GAARAD52MAPTKDM4EMAPK1
SCHEMBL2726089 0.82 ALDH1A1 (0.48) GAARAD52MAPTKDM4EMAPK1
SCHEMBL22652120 0.81 GAA (0.58) GAARAD52MAPTKDM4EMAPK1
SCHEMBL3349619 0.81 SIRT6 (0.47) MAPTKDM4EMAPK1ALDH1A1HPGD
SCHEMBL3345200 0.79 GAA (0.41) GAARAD52MAPTKDM4EMAPK1
SCHEMBL3313972 0.78 GFER (0.55) GAAMAPTKDM4EMAPK1HTT
SCHEMBL13724622 0.77 LGMN (0.56) GAARAD52MAPTKDM4EMAPK1
SCHEMBL15994391 0.77 MAPT (0.46) GAARAD52MAPTKDM4EMAPK1
SCHEMBL3349822 0.76 GAA (0.43) GAARAD52MAPTKDM4EMAPK1
SCHEMBL1018073 0.73 MAPT (0.61) GAARAD52MAPTKDM4EMAPK1

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-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed