SCHEMBL8216840

SCHEMBL8216840

CC(=O)N1CCN(c2ccc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)cn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 15/20 0.78
▸ KDM4E B2RXH2 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ MAPT P10636 1/20 0.73
▸ HPGD P15428 1/20 0.73
▸ ALOX15 P16050 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ CASP1 P29466 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ CASP7 P55210 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73

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
SCHEMBL2044515 0.91 ADK (0.64) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2035122 0.89 ADK (0.84) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2036328 0.88 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL14636030 0.88 ADK (0.65) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8215776 0.87 ADK (0.76) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8193961 0.87 ADK (0.98) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL20187275 0.86 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2039107 0.86 ADK (0.81) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8214042 0.86 ADK (0.83) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL14635803 0.85 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT

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-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO disclosed
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