SCHEMBL2649968

SCHEMBL2649968

CSc1sc(NC(=O)Nc2cccnc2C(=O)C2CCCC2)nc1C(=O)O.CSc1sc(NC(=O)Nc2ccnc(C(=O)C3CCCC3)c2)nc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.38
CDK2 P24941 6/20 0.38
CDK5 Q00535 6/20 0.38
GSK3B P49841 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIP5K1C O60331 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
ANO1 Q5XXA6 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
GRM4 Q14833 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL1341890 0.92 CCNE1 (0.38) CCNE1CDK2CDK5GSK3BCSNK2A1
SCHEMBL1341645 0.91 CCNE1 (0.40) CCNE1CDK2CDK5KDM4EL3MBTL1
SCHEMBL1340527 0.83 KDR (0.38) CCNE1CDK2CDK5GSK3BCSNK2A1
SCHEMBL1341301 0.81 ALDH1A1 (0.38) CCNE1CDK2CDK5MAPTMEN1
SCHEMBL1342197 0.79 ALDH1A1 (0.40) CCNE1CDK2CDK5MAPTMEN1
SCHEMBL1343849 0.79 SMARCA2 (0.38) CCNE1CDK2CDK5MAPTMEN1
SCHEMBL1339893 0.79 CCNE1 (0.38) CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL1342122 0.79 CCNE1 (0.35) CCNE1CDK2CDK5MAPTKMT2A
SCHEMBL1342173 0.79 CCNE1 (0.33) CCNE1CDK2CDK5GSK3BCSNK2A1
SCHEMBL1340228 0.78 SMARCA2 (0.41) CCNE1CDK2CDK5GSK3BCSNK2A1

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed