SCHEMBL5312137

SCHEMBL5312137

Nc1ccnc(Nc2cccc(O)c2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.50
LMNA P02545 1/20 0.47
PLAU P00749 2/20 0.46
SCN5A Q14524 7/20 0.45
KCNH2 Q12809 5/20 0.45
MAPK8 P45983 2/20 0.41
FLT3 P36888 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
RET P07949 2/20 0.38
KIF5B P33176 1/20 0.38
KDR P35968 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
AURKA O14965 1/20 0.37
DOT1L Q8TEK3 1/20 0.37

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
SCHEMBL4470669 0.82 MAPK8 (0.57) SCN9APLAUSCN5AKCNH2MAPK8
SCHEMBL5308550 0.77 ROCK1 (0.54) SCN9ALMNAKCNH2MAPK8
SCHEMBL9647957 0.73 MAPK8 (0.59) MAPK8FLT3MKNK1MKNK2RET
SCHEMBL4491188 0.72 HTT (0.62) SCN9ALMNAPLAUSCN5AKCNH2
SCHEMBL29430401 0.72 HTT (0.62) SCN9ALMNAPLAUSCN5AKCNH2
SCHEMBL3044816 0.71 SCN9A (0.61) SCN9ASCN5AKCNH2AURKADOT1L
SCHEMBL5312139 0.71 SCN9A (0.61) SCN9ASCN5AKCNH2KDRDOT1L
SCHEMBL4484400 0.70 SYK (0.70) SCN9ASCN5AMAPK8FLT3MKNK2
SCHEMBL14931251 0.70 AURKA (0.51) SCN9APLAUSCN5AKCNH2KDR
SCHEMBL23704714 0.69 AURKA (0.60) SCN9APLAUSCN5AKCNH2KDR

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-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed