SCHEMBL3346858

SCHEMBL3346858

Nc1ccc(N2CCN(CC=O)CC2)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
RAD52 P43351 2/20 0.43
DRD4 P21917 4/20 0.39
IP6K1 Q92551 1/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
RECQL P46063 1/20 0.37
PTK2B Q14289 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.36
S100B P04271 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3345906 0.83 GAA (0.44) GAARAD52IP6K1MAPTKDM4E
SCHEMBL20128406 0.82 PIK3CD (0.40) GAARAD52DRD4IP6K1MAPT
SCHEMBL30724195 0.81 GAA (0.66) GAARAD52DRD4MAPTKDM4E
SCHEMBL15994391 0.80 MAPT (0.46) GAARAD52DRD4MAPTKDM4E
SCHEMBL3346906 0.79 SIRT6 (0.46) GAAMAPTMAPK1ALDH1A1LMNA
SCHEMBL10061499 0.78 KDM4E (0.61) GAARAD52MAPTKDM4EMAPK1
SCHEMBL2726089 0.77 ALDH1A1 (0.48) GAARAD52MAPTKDM4EMAPK1
SCHEMBL1712413 0.76 CHKA (0.51) GAARAD52DRD4MAPTKDM4E
SCHEMBL3310366 0.76 GFER (0.59) GAAIP6K1MAPTKDM4EMAPK1
SCHEMBL1018073 0.76 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