SCHEMBL3393484

SCHEMBL3393484

COc1ccc(-c2cc(CNc3nncc(-c4ccc(C#N)cc4C)n3)n[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE5A O76074 1/20 0.36
KCNH2 Q12809 4/20 0.36
GAA P10253 1/20 0.35
VNN1 O95497 3/20 0.35
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 1/20 0.35
LRRK2 Q5S007 1/20 0.34
TNIK Q9UKE5 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL13425783 0.90 KCNH2 (0.40) KCNH2CLK4TNIKCYP11B1CYP11B2
SCHEMBL13426242 0.89 KCNH2 (0.39) NPC1RAB9AMAPK14MEN1KMT2A
SCHEMBL13425758 0.89 TNIK (0.43) KCNH2TNIKCYP11B1CYP11B2
SCHEMBL13426043 0.89 KCNH2 (0.43) MAPK1KCNH2CLK4TNIK
SCHEMBL13425754 0.85 DYRK1A (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13425761 0.84 CHEK1 (0.40) KCNH2
SCHEMBL13425759 0.84 CAMKK2 (0.51)
SCHEMBL13425814 0.83 GABRG2 (0.40) MAPTNPC1MAPK1RAB9AMEN1
SCHEMBL13425781 0.81 GABRG2 (0.38) MAPTMEN1KMT2AKCNH2CLK4
SCHEMBL13426190 0.81 KCNH2 (0.36) KCNH2

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