SCHEMBL2668628

SCHEMBL2668628

CC1CCC(N(CCOCc2ccc(F)cc2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.41
CCNE1 P24864 10/20 0.41
CCNE2 O96020 9/20 0.41
CCNB2 O95067 4/20 0.41
CDK1 P06493 4/20 0.41
CDK4 P11802 4/20 0.41
CCNB1 P14635 4/20 0.41
CCND1 P24385 4/20 0.41
CCNB3 Q8WWL7 4/20 0.41
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ITK Q08881 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
GCK P35557 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL1240445 1.00 CDK2 (0.41) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL2656872 0.93 CCNE1 (0.49) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL1240621 0.93 CCNE1 (0.49) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL1241686 0.92 CDK2 (0.40) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL9071935 0.92 CDK2 (0.40) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL2668606 0.91 CDK2 (0.40) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL1241588 0.91 CDK2 (0.40) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL2657629 0.91 CDK2 (0.41) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL2657625 0.91 CDK2 (0.41) CDK2CCNE1CCNE2CCNB2CDK1
SCHEMBL1240373 0.91 CCNE1 (0.41) CDK2CCNE1CCNE2CCNB2CDK1

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-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed