SCHEMBL3344732

SCHEMBL3344732

COc1cc2c(cc1N)N(CC=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.41
MAOB P27338 3/20 0.39
CA7 P43166 2/20 0.38
MAOA P21397 2/20 0.36
SLC6A4 P31645 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
S100B P04271 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
S1PR2 O95136 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2203691 0.77 MAPT (0.50) MAOBMAOASLC6A4GAASMN1; SMN2
SCHEMBL27580531 0.77 POLB (0.37) MAOBCA7MAOASLC6A4GAA
SCHEMBL2206199 0.76 DRD2 (0.39) CA7HDAC1HDAC6L3MBTL1MAPT
SCHEMBL14980805 0.76 ALDH1A1 (0.45) GAASMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL3133031 0.75 MAPT (0.43) MAOBMAOASLC6A4MAPT
SCHEMBL21635497 0.74 HDAC1 (0.46) SMN1; SMN2HDAC1HDAC6TSHR
SCHEMBL12428910 0.74 MEN1 (0.49) MAOBCA7MAOASLC6A4GAA
SCHEMBL9491572 0.74 MAOA (0.42) PDE4DMAOBMAOASLC6A4GAA
SCHEMBL16370572 0.72 ATAD2 (0.44) GAAMEN1KMT2AL3MBTL1MAPT
SCHEMBL12813197 0.72 ATAD2 (0.40) MEN1KMT2AL3MBTL1MAPTMAPK1

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