SCHEMBL82445

SCHEMBL82445

N#Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cnco4)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.56
ITK Q08881 7/20 0.49
DYRK1A Q13627 4/20 0.49
WNT1 P04628 3/20 0.49
AURKA O14965 2/20 0.48
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46

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
SCHEMBL5915925 0.86 LRRK2 (0.53) LRRK2
SCHEMBL952067 0.82 DYRK1A (0.55) LRRK2DYRK1AWNT1CLK2CLK3
SCHEMBL5945615 0.81 FLT3 (0.60) DYRK1AWNT1
SCHEMBL6221471 0.80 DYRK1A (0.62) LRRK2ITKDYRK1AWNT1AURKA
SCHEMBL82789 0.80 DYRK1A (0.52) LRRK2ITKDYRK1AWNT1CLK2
SCHEMBL16163220 0.79 ITK (0.79) LRRK2ITKAURKA
SCHEMBL6221997 0.76 DYRK1A (0.67) LRRK2DYRK1AWNT1CLK2CLK3
SCHEMBL5916085 0.74 DYRK1A (0.48) LRRK2ITKDYRK1AWNT1CLK2
SCHEMBL14785564 0.74 DYRK1A (0.69) LRRK2DYRK1AWNT1CLK2CLK3
SCHEMBL14804593 0.73 DYRK1A (0.70) LRRK2DYRK1AWNT1CLK2CLK3

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