SCHEMBL3349822

SCHEMBL3349822

CC(C)Oc1cc(N2CCN(CC=O)CC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
RAD52 P43351 2/20 0.43
CCR5 P51681 4/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
PTK2B Q14289 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGDR Q13258 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAP2 P11137 1/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL2726089 0.86 ALDH1A1 (0.48) GAARAD52KDM4EMAPTMAPK1
SCHEMBL2236367 0.84 GAA (0.61) GAARAD52CCR5KDM4EMAPT
SCHEMBL2232603 0.81 GAA (0.44) GAARAD52CCR5KDM4EMAPT
SCHEMBL3345200 0.81 GAA (0.41) GAARAD52KDM4EMAPTMAPK1
SCHEMBL15283334 0.80 GAA (0.58) GAARAD52KDM4EMAPTMAPK1
SCHEMBL1912004 0.79 GAA (0.42) GAARAD52CCR5KDM4EMAPT
SCHEMBL10208073 0.78 ALDH1A1 (0.54) GAAKDM4EMAPTMAPK1HTT
SCHEMBL15283576 0.77 GAA (0.40) GAARAD52CCR5KDM4EMAPT
SCHEMBL3315044 0.77 CASP6 (0.55) MAPTALDH1A1GFER
SCHEMBL3345906 0.76 GAA (0.44) GAARAD52KDM4EMAPTMAPK1

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