SCHEMBL4735504

SCHEMBL4735504

COc1ccc(CC2(c3ccnc(-c4cccc(C#N)c4)c3)NC(=S)NC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.44
DYRK1A Q13627 1/20 0.44
PTGDR Q13258 1/20 0.41
CYP3A4 P08684 9/20 0.39
USP2 O75604 8/20 0.39
CYP1A2 P05177 8/20 0.39
CYP2C19 P33261 6/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 6/20 0.39
CYP2D6 P10635 4/20 0.39
VNN1 O95497 2/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
TNF P01375 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MCHR1 Q99705 1/20 0.37
CYP2C9 P11712 5/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 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
SCHEMBL4735502 0.77 PTGDR (0.41) CLK4DYRK1APTGDRCYP3A4USP2
SCHEMBL4906480 0.75 BACE1 (0.42) CLK4DYRK1APTGDRCYP3A4USP2
SCHEMBL4736456 0.68 CLK4 (0.49) CLK4DYRK1APTGDRCYP3A4USP2
SCHEMBL4781470 0.66 BACE1 (0.40) CLK4DYRK1ACYP3A4USP2CYP1A2
SCHEMBL7560589 0.65 BACE1 (0.44) CLK4CYP3A4CYP1A2CYP2C19HSD17B10
SCHEMBL4913733 0.64 BACE1 (0.43) CYP3A4CYP1A2CYP2C19HSD17B10PGR
SCHEMBL5067185 0.64 CA2 (0.42) ALDH1A1LMNATP53PGR
SCHEMBL28524044 0.64 MEN1 (0.54) CLK4DYRK1AALDH1A1TSHRMEN1
SCHEMBL9792939 0.64 CLK4 (0.62) CLK4CYP3A4USP2CYP1A2CYP2C19
SCHEMBL8481744 0.63 ABL1 (0.58) CLK4DYRK1APTGDRCYP3A4CYP1A2

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-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed