SCHEMBL81160

SCHEMBL81160

Cc1c(O)ccnc1-c1ccc2[nH]nc(C(=O)Nc3ccncc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.54
WNT1 P04628 10/20 0.54
CLK2 P49760 6/20 0.52
DYRK3 O43781 1/20 0.52
MAP4K4 O95819 1/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52
GSK3B P49841 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK1G2 P78368 1/20 0.52
CDK5 Q00535 1/20 0.52
MAP4K2 Q12851 1/20 0.52
PRKAA1 Q13131 1/20 0.52
CAMK2B Q13554 1/20 0.52
CAMK2G Q13555 1/20 0.52
CAMK2D Q13557 1/20 0.52
NTRK3 Q16288 1/20 0.52
MARK2 Q7KZI7 1/20 0.52
TAOK1 Q7L7X3 1/20 0.52

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
SCHEMBL4523534 0.83 DYRK1A (0.53) DYRK1AWNT1CLK2DYRK3MAP4K4
SCHEMBL5915925 0.82 LRRK2 (0.53) LRRK2
SCHEMBL5716625 0.79 DYRK1A (0.56) DYRK1AWNT1CLK2DYRK3MAP4K4
Hydrochloric Acid SCHEMBL4529550 0.78 DYRK1A (0.55) DYRK1AWNT1CLK2DYRK3MAP4K4
Hydrochloric Acid SCHEMBL951130 0.78 DYRK1A (0.55) DYRK1AWNT1CLK2DYRK3MAP4K4
SCHEMBL955157 0.78 DYRK1A (0.54) DYRK1AWNT1CLK2DYRK3MAP4K4
SCHEMBL23533889 0.77 DYRK1A (0.56) DYRK1AWNT1CLK2DYRK3MAP4K4
SCHEMBL23534329 0.76 DYRK1A (0.58) DYRK1AWNT1CLK2DYRK3MAP4K4
SCHEMBL23533919 0.76 DYRK1A (0.63) DYRK1AWNT1CLK2DYRK3MAP4K4
SCHEMBL6221664 0.76 DYRK1A (0.68) DYRK1AWNT1CLK2CLK3

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