SCHEMBL82407

SCHEMBL82407

O=C(NCc1cccnc1)c1n[nH]c2ccc(-c3cncc4ccccc34)cc12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.66
WNT1 P04628 12/20 0.66
GSK3B P49841 4/20 0.51
ACHE P22303 1/20 0.51
KCNH2 Q12809 2/20 0.49
ROCK2 O75116 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49

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
SCHEMBL4523358 0.93 DYRK1A (0.58) DYRK1AWNT1CLK2CLK3
SCHEMBL4514663 0.88 DYRK1A (0.52) DYRK1AWNT1CLK2CLK3
SCHEMBL6219544 0.85 DYRK1A (0.72) DYRK1AWNT1GSK3BACHEKCNH2
SCHEMBL20125806 0.82 DYRK1A (0.71) DYRK1AWNT1GSK3BACHEKCNH2
SCHEMBL954666 0.81 KDM4E (0.64)
SCHEMBL6221024 0.81 DYRK1A (0.56) DYRK1AWNT1GSK3BACHEKCNH2
SCHEMBL82655 0.81 DYRK1A (0.70) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17096021 0.79 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL953365 0.78 DYRK1A (0.61) DYRK1AWNT1GSK3BROCK2CLK2
SCHEMBL4513095 0.78 DYRK1A (0.62) DYRK1AWNT1GSK3BACHEKCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4762543-B2 2011-08-31 JP claimed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP claimed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO claimed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO disclosed