SCHEMBL1684673

SCHEMBL1684673

Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(CC=O)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.74
CDK4 P11802 6/20 0.74
CCNE1 P24864 5/20 0.74
CDK1 P06493 1/20 0.60
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC1 Q13547 4/20 0.52
CDK19 Q9BWU1 1/20 0.47
ALK Q9UM73 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1684643 0.86 CDK2 (0.86) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684781 0.86 CDK2 (0.53) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684889 0.84 CDK2 (1.00) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684885 0.84 CDK2 (0.83) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684709 0.84 CDK2 (0.83) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684769 0.83 CDK2 (0.50) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684670 0.82 CDK2 (0.76) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684693 0.82 CDK2 (0.80) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL1684845 0.82 CDK2 (0.76) CDK2CDK4CCNE1CDK1KDM4E
SCHEMBL1684908 0.82 CDK2 (0.79) CDK2CDK4CCNE1CDK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306836-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2011-04-13 EP claimed
WO-2010002985-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2010-01-07 WO claimed