SCHEMBL3360699

SCHEMBL3360699

Cc1cccc(-c2nc3ccccn3c2-c2ccnc(NCCc3ccccc3)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.54
CDK2 P24941 10/20 0.51
CDK4 P11802 5/20 0.51
CCNE1 P24864 4/20 0.51
CDK19 Q9BWU1 2/20 0.45
ALK Q9UM73 2/20 0.45
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL408673 0.94 HDAC1 (0.53) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL413728 0.92 HDAC1 (0.49) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL5795553 0.91 HDAC1 (0.48) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL409778 0.89 CDK2 (0.57) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL413474 0.89 CDK2 (0.47) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL413670 0.86 CDK19 (0.49) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL415283 0.86 CDK2 (0.49) HDAC1CDK2CDK4CCNE1
SCHEMBL412332 0.86 DYRK3 (0.54) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL414098 0.86 CDK2 (0.48) HDAC1CDK2CDK4CCNE1
SCHEMBL412510 0.84 CDK2 (0.56) HDAC1CDK2CDK4CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP claimed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP claimed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 WO claimed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed