SCHEMBL3435941

SCHEMBL3435941

CCCC(c1cccnc1)C(C#N)c1c[nH]c2ccc(OC(=O)COC)cc12.N#C/C(=C\c1cccnc1)c1c[nH]c2ccc(CC(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.50
KIF20A O95235 8/20 0.50
CLK1 P49759 9/20 0.43
CLK2 P49760 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GUSB P08236 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL2725443 0.87 DYRK1A (0.65) DYRK1AKIF20ACLK1CLK2CLK4
SCHEMBL3433137 0.81 DYRK1A (0.75) DYRK1AKIF20ACLK1CLK2CLK4
SCHEMBL3433140 0.81 DYRK1A (0.75) DYRK1AKIF20ACLK1CLK2CLK4
SCHEMBL2726582 0.77 DYRK1A (0.68) DYRK1AKIF20ACLK1CLK2CLK4
SCHEMBL2726580 0.77 DYRK1A (0.68) DYRK1AKIF20ACLK1CLK2CLK4
SCHEMBL3434437 0.72 DYRK1A (0.38) DYRK1AKIF20ACLK1
SCHEMBL13016173 0.71 DYRK1A (0.78) DYRK1AKIF20ACLK1CLK2CLK4
SCHEMBL2728064 0.71 DYRK1A (0.80) DYRK1AKIF20ACLK1CLK2CLK4
SCHEMBL2728069 0.71 DYRK1A (0.80) DYRK1AKIF20ACLK1CLK2CLK4
SCHEMBL2726414 0.71 DYRK1A (0.80) DYRK1AKIF20ACLK1CLK2CLK4

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
EP-2266562-A1 Use of derivatives of indoles for the treatment of cancer Centre National de la Recherche Scientifique (FR) 2010-12-29 EP claimed