SCHEMBL3397300

SCHEMBL3397300

Cc1cccc(C)c1-c1ccnc(NCc2cc(-c3ccccc3)[nH]n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 4/20 0.41
DYRK1A Q13627 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
DYRK1B Q9Y463 3/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
PDPK1 O15530 1/20 0.39
CLK1 P49759 3/20 0.39
IGF1R P08069 2/20 0.39
CDC7 O00311 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CDK2 P24941 2/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 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
SCHEMBL13426803 0.89 CLK4 (0.41) EIF2AK2DYRK1ACLK4DYRK1BMAPK14
SCHEMBL3433187 0.83 RAB9A (0.37) POLBRAB9A
SCHEMBL13426360 0.81 NOS2 (0.44) CLK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL13425542 0.80 CLK4 (0.41) DYRK1ACLK4DYRK1BMAPK14MAPK13
SCHEMBL13425809 0.79 KCNH2 (0.49) DYRK1ACLK4MAPK14MAPK13RAF1
SCHEMBL13425732 0.79 CLK4 (0.45) DYRK1ACLK4DYRK1BMAPK14MAPK13
SCHEMBL13425541 0.79 FYN (0.51) DYRK1APOLBRAB9ACLK2CLK3
SCHEMBL13425806 0.77 CDC7 (0.47) CLK4CDC7CDK2
SCHEMBL13425775 0.76 GPR84 (0.38) IGF1RPOLBRAB9A
SCHEMBL13425543 0.75 NR1H4 (0.37) CLK4IGF1RPOLBRAB9A

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed