SCHEMBL3395596

SCHEMBL3395596

N#Cc1ccc(-c2cnnc(NCc3cc(-c4ccccn4)[nH]n3)n2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
PDE5A O76074 2/20 0.37
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
GRM5 P41594 1/20 0.35
VNN1 O95497 2/20 0.34
TGFBR1 P36897 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CHEK1 O14757 1/20 0.33
MAPK14 Q16539 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
GPR39 O43194 2/20 0.32
FFAR1 O14842 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL13425594 0.87 KCNH2 (0.38) KCNH2METAP2METAP1VNN1TGFBR1
SCHEMBL3393337 0.81 KCNH2 (0.58) KCNH2PDE5AGRM5TGFBR1CHEK1
SCHEMBL13426263 0.79 KCNH2 (0.39) KCNH2PDE5AEGLN1
SCHEMBL3395600 0.79 L3MBTL1 (0.35) KCNH2METAP2METAP1GRM5TGFBR1
SCHEMBL3392272 0.77 KCNH2 (0.54) KCNH2PDE5AMETAP2METAP1TGFBR1
SCHEMBL13426043 0.77 KCNH2 (0.43) KCNH2CHEK1
SCHEMBL13425706 0.75 EGFR (0.36) CHEK1
SCHEMBL13425781 0.75 GABRG2 (0.38) KCNH2
SCHEMBL13425685 0.74 MAPT (0.41) MAPK14
SCHEMBL13425783 0.73 KCNH2 (0.40) 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