SCHEMBL3360845

SCHEMBL3360845

N#Cc1ccc(-c2ccnc(N)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.48
DYRK1A Q13627 4/20 0.44
GSK3B P49841 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
CDC7 O00311 2/20 0.43
CDK2 P24941 1/20 0.43
DGAT1 O75907 1/20 0.40
GRM5 P41594 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAP3K14 Q99558 1/20 0.39
AR P10275 1/20 0.38
MET P08581 1/20 0.38
KCNH2 Q12809 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
NSD2 O96028 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
SCHEMBL3362125 0.84 EGLN2 (0.50) EGLN2GSK3BPIK3C3CDC7CDK2
SCHEMBL3366217 0.82 KCNH2 (0.52) EGLN2DYRK1AGSK3BCDC7CDK2
SCHEMBL3362974 0.78 S1PR1 (0.47) DYRK1AGSK3BCDC7CDK2AR
SCHEMBL29432635 0.77 DYRK1A (0.54) EGLN2DYRK1AGSK3BCDC7CDK2
SCHEMBL3397985 0.77 DYRK1A (0.54) EGLN2DYRK1AGSK3BCDC7CDK2
SCHEMBL3363019 0.76 PIK3C3 (0.47) DYRK1APIK3C3
SCHEMBL17629942 0.76 EGLN2 (0.49) EGLN2DGAT1CYP11B1CYP11B2AR
SCHEMBL23809618 0.74 DYRK1A (0.45) DYRK1AGSK3BCDC7CDK2GRM5
SCHEMBL18998664 0.74 CLK4 (0.59) DYRK1AGSK3BCDC7CDK2GRM5
SCHEMBL312451 0.74

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