SCHEMBL18850331

SCHEMBL18850331

CC(C)C(=O)Nc1cccc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 17/20 0.79
CLK3 P49761 17/20 0.79
DYRK1A Q13627 17/20 0.79
CLK1 P49759 1/20 0.62
GSK3B P49841 1/20 0.62
DYRK2 Q92630 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
DYRK1B Q9Y463 1/20 0.62
WNT1 P04628 3/20 0.58
TGFBR1 P36897 1/20 0.58

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
SCHEMBL15306703 0.93 CLK2 (0.86) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL18850305 0.91 CLK2 (0.76) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL18850265 0.91 CLK2 (0.76) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL12010076 0.90 CLK2 (0.91) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL1270801 0.89 CLK2 (1.00) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL15868986 0.88 CLK2 (0.76) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL18850376 0.87 CLK2 (0.71) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL15306583 0.87 CLK2 (0.84) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL15306594 0.86 CLK2 (0.84) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL18850377 0.85 CLK2 (0.73) CLK2CLK3DYRK1AWNT1TGFBR1

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-2017079759-A1 2-(1H-INDAZOL-3-YL)-3H-IMIDAZO[4,5-C]PYRIDINES AND THEIR ANTI-INFLAMMATORY USES THEREOF SAMUMED, LLC (US) 2017-05-11 WO disclosed