SCHEMBL82789

SCHEMBL82789

CCN(CC)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cnco4)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.52
WNT1 P04628 7/20 0.52
CSNK2A1 P68400 2/20 0.46
CLK2 P49760 4/20 0.46
CLK3 P49761 3/20 0.46
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK1G2 P78368 1/20 0.43
MAP4K2 Q12851 1/20 0.43
PRKAA1 Q13131 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
NTRK3 Q16288 1/20 0.43

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
SCHEMBL5916085 0.93 DYRK1A (0.48) DYRK1AWNT1CSNK2A1CLK2CLK3
SCHEMBL6224117 0.84 DYRK1A (0.55) DYRK1AWNT1CSNK2A1CLK2CLK3
SCHEMBL82445 0.80 LRRK2 (0.56) DYRK1AWNT1CLK2CLK3LRRK2
SCHEMBL952067 0.79 DYRK1A (0.55) DYRK1AWNT1CSNK2A1CLK2CLK3
SCHEMBL5945615 0.78 FLT3 (0.60) DYRK1AWNT1CSNK2A1CDK5CDK5R1
SCHEMBL14804048 0.76 DYRK1A (0.72) DYRK1AWNT1CLK2CLK3GSK3B
Hydrochloric Acid SCHEMBL5915919 0.76 DYRK1A (0.49) DYRK1AWNT1CSNK2A1CLK2CLK3
SCHEMBL14804107 0.76 DYRK1A (0.83) DYRK1AWNT1CLK2CLK3
SCHEMBL14804428 0.75 DYRK1A (0.65) DYRK1AWNT1CSNK2A1CLK2CLK3
SCHEMBL5915922 0.75 DYRK1A (0.52) DYRK1AWNT1CSNK2A1CLK2CLK3

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 3 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 disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO disclosed