SCHEMBL8227954

SCHEMBL8227954

C[C@@H]1CN(c2ccc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)nn2)C[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 19/20 0.72
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8227950 1.00 ADK (0.72) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8227944 1.00 ADK (0.72) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8232407 1.00 ADK (0.72) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8232411 1.00 ADK (0.72) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8233924 0.94 ADK (0.77) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8233921 0.94 ADK (0.77) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8214493 0.88 ADK (0.88) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8214496 0.88 ADK (0.88) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8219181 0.86 ADK (0.72) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2038363 0.84 ADK (0.75) 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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