SCHEMBL2443671

SCHEMBL2443671

[c]1ccc(C2CCNCC2)cc1-c1cccc(CN2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 2/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
DRD2 P14416 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13293710 0.73 SMN1; SMN2 (0.58) MBTD1L3MBTL3TP53BP1L3MBTL1PRMT6
SCHEMBL12470953 0.72 NOTUM (0.45) DRD2HTR2CSIGMAR1
SCHEMBL2194890 0.71 SIGMAR1 (0.53) DRD2SMN1; SMN2ALDH1A1TDP1HRH3
SCHEMBL29823861 0.68 CXCR4 (0.69) TDP1HRH3SIGMAR1CXCR4
SCHEMBL17929341 0.66 CXCR4 (0.72) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
SCHEMBL1259323 0.66 CXCR4 (0.67) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
SCHEMBL675084 0.66 CXCR4 (0.67) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
SCHEMBL3425973 0.66 CYP2D6 (0.65) PRMT6DRD2SMN1; SMN2ALDH1A1TDP1
SCHEMBL6237364 0.65 SIGMAR1 (0.61) PRMT6SMN1; SMN2ALDH1A1TDP1CYP2D6
SCHEMBL3153554 0.65 SIGMAR1 (0.71) DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed