SCHEMBL3392275

SCHEMBL3392275

Cc1cc(C#N)ccc1-c1ccnc(N(C)c2cc(-c3ccccn3)[nH]n2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
FFAR1 O14842 2/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
TGFBR1 P36897 1/20 0.36
GRM5 P41594 3/20 0.34
EGLN2 Q96KS0 1/20 0.34
CRHR1 P34998 1/20 0.34
DRD1 P21728 1/20 0.34
LRRK2 Q5S007 1/20 0.34
OXTR P30559 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3392062 0.85 KCNH2 (0.54) KCNH2FFAR1METAP2METAP1TGFBR1
SCHEMBL3395600 0.80 L3MBTL1 (0.35) KCNH2FFAR1METAP2METAP1TGFBR1
SCHEMBL3392272 0.78 KCNH2 (0.54) KCNH2FFAR1METAP2METAP1TGFBR1
SCHEMBL3393341 0.76 KCNH2 (0.43) KCNH2FFAR1METAP2METAP1TGFBR1
SCHEMBL3395407 0.75 KCNH2 (0.40) KCNH2EGLN2LRRK2OXTR
SCHEMBL24791485 0.75 KCNH2 (0.53) KCNH2FFAR1METAP2METAP1TGFBR1
SCHEMBL30872068 0.75 KCNH2 (0.53) KCNH2FFAR1METAP2METAP1TGFBR1
SCHEMBL3397575 0.74 KCNH2 (0.43) KCNH2TGFBR1EGLN2DRD1OXTR
SCHEMBL13426919 0.73 KCNH2 (0.53) KCNH2FFAR1METAP2METAP1TGFBR1
SCHEMBL3433177 0.72 KCNH2 (0.36) KCNH2LRRK2OXTR

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