SCHEMBL6583057

SCHEMBL6583057

[CH2]C(Cc1ccccc1)c1ccc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.49
CDK5 Q00535 4/20 0.49
DYRK1A Q13627 4/20 0.49
CLK4 Q9HAZ1 2/20 0.49
DYRK3 O43781 1/20 0.49
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
CDK5R1 Q15078 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
GRIN2B Q13224 3/20 0.47
ROCK2 O75116 11/20 0.47
ROCK1 Q13464 9/20 0.47
JAK2 O60674 4/20 0.47
PRKACA P17612 4/20 0.47
CDK2 P24941 4/20 0.47
AURKB Q96GD4 4/20 0.47
AURKA O14965 3/20 0.47
DAPK3 O43293 3/20 0.47

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
SCHEMBL6586657 0.80 GSK3B (0.46) GSK3BCDK5DYRK1ACLK4DYRK3
SCHEMBL27742050 0.79 DYRK3 (0.51) GSK3BCDK5DYRK1ACLK4DYRK3
SCHEMBL1363970 0.76 DYRK3 (0.54) GSK3BCDK5DYRK1ACLK4DYRK3
SCHEMBL6585051 0.72 ROCK2 (0.58) GSK3BCDK5DYRK1ACLK4DYRK3
SCHEMBL14196189 0.72 GSK3B (0.57) GSK3BCDK5DYRK1ACLK4DYRK3
SCHEMBL55886 0.72 SLC6A2 (0.48) CYP3A4
SCHEMBL2305985 0.71 SLC6A4 (0.64) GSK3BCDK5DYRK1ACLK4DYRK3
SCHEMBL3578324 0.70 NR3C1 (0.51) GSK3BCDK5DYRK1ACLK4DYRK3
SCHEMBL3587902 0.70 NR3C1 (0.51) GSK3BCDK5DYRK1ACLK4DYRK3
SCHEMBL3587907 0.70 NR3C1 (0.51) GSK3BCDK5DYRK1ACLK4DYRK3

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
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed