SCHEMBL8207402

SCHEMBL8207402

CN(Cc1cccnc1)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADK P55263 14/20 1.00
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
SCHEMBL8194016 0.85 ADK (0.73) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8144366 0.84 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8147564 0.82 ADK (0.68) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8138145 0.82 ADK (0.75) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8193681 0.81 ADK (0.71) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8207033 0.81 ADK (0.68) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8137443 0.81 ADK (0.83) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8143590 0.80 ADK (0.81) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8194014 0.79 ADK (0.72) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8147157 0.78 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 1 patent. 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 disclosed