SCHEMBL8153207

SCHEMBL8153207

CN(C)CCS(=O)(=O)Nc1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 0.63
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ NR2E3 Q9Y5X4 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL8196929 0.84 ADK (0.68) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8214772 0.81 ADK (0.72) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8184903 0.81 ADK (0.77) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2036959 0.80 ADK (0.65) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2033598 0.80 ADK (0.72) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2037229 0.80 ADK (0.79) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8147157 0.79 ADK (0.75) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2035160 0.79 ADK (0.69) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8153562 0.78 ADK (0.70) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2034644 0.78 ADK (1.00) ADKKDM4EPOLBPPARGMCL1

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
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