SCHEMBL5819642

SCHEMBL5819642

Cc1cccc(-c2nc3ccccn3c2-c2ccnc(NC(C)(C)CN)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.49
CDK4 P11802 6/20 0.49
CCNE1 P24864 5/20 0.49
HDAC1 Q13547 4/20 0.41
CDK19 Q9BWU1 2/20 0.40
ALK Q9UM73 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA1B P35368 1/20 0.39
CDK1 P06493 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5819630 0.85 CDK2 (0.49) CDK2CDK4CCNE1HDAC1CDK19
SCHEMBL412401 0.84 CDK2 (0.56) CDK2CDK4CCNE1HDAC1CDK19
SCHEMBL415283 0.83 CDK2 (0.49) CDK2CDK4CCNE1HDAC1
SCHEMBL414098 0.82 CDK2 (0.48) CDK2CDK4CCNE1HDAC1
SCHEMBL411464 0.81 CDK2 (0.75) CDK2CDK4CCNE1HDAC1KDM4E
SCHEMBL5138420 0.81 CDK2 (0.53) CDK2CDK4CCNE1GAAMAPT
SCHEMBL409738 0.80 HDAC1 (0.56) CDK2CDK4CCNE1HDAC1
SCHEMBL413669 0.79 MAPK8 (0.54) CDK2CDK4CCNE1GAAMAPT
SCHEMBL412361 0.79 CDK2 (0.71) CDK2CDK4CCNE1KDM4EALDH1A1
SCHEMBL413670 0.79 CDK19 (0.49) CDK2CDK4CCNE1HDAC1CDK19

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
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP disclosed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP disclosed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 WO disclosed