SCHEMBL3345933

SCHEMBL3345933

COc1c(N)ccc(N2CCN(CC=O)CC2)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.36
HTR7 P34969 6/20 0.36
HTR6 P50406 2/20 0.36
DRD2 P14416 5/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAD52 P43351 1/20 0.35
GFER P55789 1/20 0.35
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3346311 0.88 KDM4E (0.36) HTR1AHTR7DRD2GAAMAPT
SCHEMBL3347067 0.86 MEN1 (0.35) HTR1AGAAMAPTRAD52GFER
SCHEMBL3346768 0.81 ALDH1A1 (0.44) GAAMAPTGFERMAPK1ALDH1A1
SCHEMBL521121 0.80 DRD2 (0.46) HTR1AHTR7HTR6DRD2MAPT
SCHEMBL521120 0.80 DRD2 (0.46) HTR1AHTR7HTR6DRD2MAPT
SCHEMBL12714783 0.79 ALDH1A1 (0.54) HTR1ADRD2GAAMAPTRAD52
SCHEMBL11297059 0.76 LMNA (0.50) HTR1AHTR7HTR6DRD2MAPT
SCHEMBL3309920 0.76 ALDH1A1 (0.55) MAPTGFERMAPK1ALDH1A1L3MBTL1
SCHEMBL2204046 0.76 IGF1R (0.42) HTR1ADRD2GAAMAPTALDH1A1
SCHEMBL3346986 0.75 GAA (0.39) GAAMAPTRAD52GFERMAPK1

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