SCHEMBL25565665

SCHEMBL25565665

CCOc1cc(N)ccc1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KDM4E B2RXH2 5/20 0.56
RAD52 P43351 2/20 0.56
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 4/20 0.49
ADRA2C P18825 3/20 0.49
GFER P55789 2/20 0.49
PTK2B Q14289 2/20 0.49
KMT2A Q03164 1/20 0.49
ESR2 Q92731 1/20 0.49
POLB P06746 1/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HSD17B10 Q99714 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
DRD4 P21917 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL16644751 0.94 MAPT (0.53) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30879147 0.88 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL18537687 0.88 MAPT (0.53) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL6972479 0.88 MAPT (0.53) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL10127415 0.87 FGFR3 (0.50) MAPTKDM4ERAD52ALDH1A1PTK2B
SCHEMBL30309526 0.87 GAA (0.62) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL15652180 0.87 GAA (0.62) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL16640694 0.87 MAPT (0.62) MAPTKDM4ERAD52ALDH1A1GAA
SCHEMBL13419661 0.86 ALDH1A1 (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL23567036 0.85 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1

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-2023094310-A1 PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS ORIGENIS GMBH (DE) 2023-06-01 WO disclosed