SCHEMBL30878657

SCHEMBL30878657

CN1CCN(c2ccc(N)cc2OCC2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
RAD52 P43351 2/20 0.49
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 4/20 0.42
ADRA2C P18825 3/20 0.42
PTK2B Q14289 3/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 2/20 0.42
ESR2 Q92731 1/20 0.42
HTT P42858 2/20 0.42
HTR2A P28223 3/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
DRD2 P14416 3/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL30879277 0.88 NFE2L2 (0.50) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30878933 0.86 NFE2L2 (0.52) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30879025 0.86 MAPT (0.46) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL25565665 0.81 MAPT (0.56) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30019147 0.80 MAPT (0.52) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30879164 0.80 CYP19A1 (0.54) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL23567036 0.79 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30879147 0.79 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL30736195 0.79 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1L3MBTL1
SCHEMBL10127415 0.78 FGFR3 (0.50) MAPTKDM4ERAD52ALDH1A1PTK2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed