SCHEMBL8152243

SCHEMBL8152243

CN(C)C(C)(c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1)S(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 11/20 0.66
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49
PPARG P37231 1/20 0.49
MCL1 Q07820 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49

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
SCHEMBL8143068 0.86 ADK (0.74) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2037229 0.84 ADK (0.79) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8153562 0.82 ADK (0.70) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8231674 0.81 ADK (0.67) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8148154 0.80 ADK (0.67) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8143590 0.80 ADK (0.81) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2034644 0.80 ADK (1.00) ADKKDM4EPOLBPPARGMCL1
SCHEMBL8127996 0.80 ADK (0.78) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2039883 0.78 ADK (0.77) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8139237 0.78 ADK (0.76) 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
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 EP disclosed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed