SCHEMBL83645

SCHEMBL83645

O=C(NCc1ccc(F)c(F)c1)c1n[nH]c2ccc(-c3cccnc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.65
WNT1 P04628 11/20 0.63
CLK2 P49760 2/20 0.59
CLK3 P49761 2/20 0.59
GSK3B P49841 2/20 0.59
KCNH2 Q12809 1/20 0.59
ACHE P22303 1/20 0.57

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
SCHEMBL6221476 0.88 DYRK1A (0.67) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL6219544 0.88 DYRK1A (0.72) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL20125806 0.87 DYRK1A (0.71) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL4513095 0.80 DYRK1A (0.62) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL17121391 0.79 DYRK1A (0.78) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL17095854 0.79 DYRK1A (1.00) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL17095914 0.79 DYRK1A (0.72) DYRK1AWNT1CLK2CLK3
SCHEMBL14804583 0.78 DYRK1A (0.72) DYRK1AWNT1CLK2CLK3
SCHEMBL14792766 0.78 DYRK1A (0.71) DYRK1AWNT1CLK2CLK3
SCHEMBL17095563 0.77 DYRK1A (1.00) DYRK1AWNT1CLK2CLK3GSK3B

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