SCHEMBL8004061

SCHEMBL8004061

Bc1cc(C)c(OC)nc1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
DHFR P00374 7/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL8004058 0.81 POLB (0.38) POLBDHFRKDM4EMEN1ALDH1A1
SCHEMBL20355369 0.80 PIK3CA (0.37) POLBDHFRKDM4EMEN1ALDH1A1
SCHEMBL21372397 0.79 CYP3A4 (0.37) POLBDHFRKDM4EMEN1ALDH1A1
SCHEMBL8000890 0.76 POLB (0.36) POLBDHFRKDM4EMEN1ALDH1A1
SCHEMBL8007192 0.76 GSK3A (0.40) POLBDHFRKDM4EMEN1ALDH1A1
SCHEMBL13114360 0.73 MAPT (0.37) POLBDHFRKDM4EMEN1ALDH1A1
SCHEMBL577111 0.73 RECQL (0.42) POLBMEN1ALDH1A1KMT2ARECQL
SCHEMBL1674658 0.71 PIK3CA (0.37) POLBALDH1A1RECQL
SCHEMBL31345511 0.71 PIK3CA (0.37) POLBALDH1A1RECQL
SCHEMBL18793352 0.71 POLB (0.38) POLBDHFRKDM4EMEN1ALDH1A1

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-2009104729-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 大日本住友製薬株式会社 (JP) 2009-08-27 WO disclosed