SCHEMBL3963207

SCHEMBL3963207

CCCCOc1nc(NCc2ccc(Cl)c(Cl)c2)cc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
PIK3CB P42338 8/20 0.47
PIK3CA P42336 3/20 0.46
TYK2 P29597 2/20 0.45
SYK P43405 2/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
BRSK1 Q8TDC3 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PIK3CD O00329 1/20 0.42
PKM P14618 2/20 0.41
TSHR P16473 2/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
FES P07332 1/20 0.41
FER P16591 1/20 0.41
FRK P42685 1/20 0.41

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
SCHEMBL13906412 0.81 HPGD (0.42) HRH4L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL3957931 0.79 L3MBTL1 (0.42) HRH4L3MBTL1PIK3CBPIK3CAALDH1A1
SCHEMBL1377798 0.78 TYK2 (0.64) L3MBTL1PIK3CBTYK2SYKIRAK4
SCHEMBL914055 0.77 MAPT (0.54) L3MBTL1TYK2SYKIRAK4BRSK1
SCHEMBL26765746 0.69 PIK3CB (0.60) HRH4L3MBTL1PIK3CBPIK3CAGAA
SCHEMBL3106397 0.69 MEN1 (0.54) ALDH1A1KDM4EGAAHTTLMNA
SCHEMBL3558706 0.69 PIK3CB (0.59) HRH4PIK3CBPIK3CAKDM4EPIK3CD
SCHEMBL10198704 0.68 L3MBTL1 (0.56) L3MBTL1TYK2SYKIRAK4ALDH1A1
SCHEMBL4035856 0.68 TLR7 (0.49) SMN1; SMN2LMNA
SCHEMBL426317 0.68 L3MBTL1 (0.56) L3MBTL1TYK2SYKIRAK4ALDH1A1

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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed