SCHEMBL3434437

SCHEMBL3434437

CCCC(c1cccnc1)C(C#N)c1c[nH]c2ccc(OC(=O)C(OC)/C(=C(\C#N)c3c[nH]c4ccc(O)cc34)c3cccnc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.38
KIF20A O95235 3/20 0.38
CLK1 P49759 5/20 0.33
NR4A2 P43354 1/20 0.31

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
SCHEMBL3435941 0.72 DYRK1A (0.50) DYRK1AKIF20ACLK1
SCHEMBL2725122 0.67 KIF20A (0.45) DYRK1AKIF20ACLK1
SCHEMBL2724759 0.66 DYRK1A (0.49) DYRK1AKIF20ACLK1NR4A2
SCHEMBL3434452 0.65 DYRK1A (0.56) DYRK1AKIF20ACLK1NR4A2
SCHEMBL3434269 0.65 DYRK1A (0.60) DYRK1AKIF20ACLK1NR4A2
SCHEMBL15907803 0.64 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2
SCHEMBL2725493 0.64 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2
SCHEMBL2725494 0.64 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2
SCHEMBL2728478 0.64 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2
SCHEMBL2728481 0.64 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2

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