SCHEMBL28039852

SCHEMBL28039852

COC(CN=Cc1cnn(C)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GSK3B P49841 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK4 Q9NR20 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
NAAA Q02083 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL16097741 0.79 TAAR1 (0.39) MEN1KMT2ATAAR1GSK3BDYRK3
SCHEMBL16096005 0.77 MEN1 (0.43) METMEN1KMT2ATAAR1GSK3B
SCHEMBL16097842 0.76 ALDH1A1 (0.46) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL28040296 0.75 KMT2A (0.34) MEN1KMT2ATAAR1GSK3BHDAC1
SCHEMBL28039870 0.75 MET (0.42) METMEN1KMT2ATAAR1GSK3B
SCHEMBL16095805 0.75 MEN1 (0.36) MEN1KMT2ATAAR1GSK3BDYRK3
SCHEMBL17499789 0.74 MEN1 (0.34) MEN1KMT2ATAAR1GSK3BHDAC1
SCHEMBL17499336 0.74 PDE4A (0.33) MEN1KMT2ATAAR1GSK3BDYRK3
SCHEMBL16097678 0.73 MEN1 (0.34) MEN1KMT2ATAAR1GSK3BDYRK3
SCHEMBL16104945 0.73 MEN1 (0.34) MEN1KMT2ATAAR1GSK3BDYRK3

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
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed