SCHEMBL4737265

SCHEMBL4737265

Fc1ccc(C#Cc2ccc3c(c2)CCCO3)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.39
WNT3A P56704 7/20 0.39
ACACB O00763 3/20 0.39
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
NOTUM Q6P988 1/20 0.35
MAOB P27338 1/20 0.35
PRKCI P41743 1/20 0.34
ERN1 O75460 1/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
CHRND Q07001 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
SCHEMBL8192501 0.81 ERN1 (0.47) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL4521301 0.79 ACACB (0.40) CTNNB1WNT3AACACBCLK1DYRK1A
SCHEMBL4784686 0.76 CTNNB1 (0.54) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL4354029 0.74 SMN1; SMN2 (0.39) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL14576619 0.74 CTNNB1 (0.38) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL4737647 0.74 ACACB (0.42) CTNNB1WNT3AACACBCLK1DYRK1A
SCHEMBL97687 0.72 DYRK1A (0.47) CTNNB1WNT3AACACBCLK1DYRK1A
SCHEMBL4849472 0.72 DYRK1A (0.43) CTNNB1WNT3AACACBCLK1DYRK1A
SCHEMBL4734542 0.72 DYRK1A (0.43) CTNNB1WNT3AACACBCLK1DYRK1A
SCHEMBL10317153 0.72 CLK1 (0.43) CTNNB1WNT3AACACBCLK1DYRK1A

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-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed