SCHEMBL2668503

SCHEMBL2668503

CC1CCC(N(CCOCc2cccc(C(F)(F)F)c2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
DCUN1D1 Q96GG9 3/20 0.38
SCD O00767 10/20 0.38
ITK Q08881 1/20 0.38
UBE2M P61081 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL1241694 1.00 CCNE2 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL12906641 0.93 CYP3A4 (0.43) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1240373 0.91 CCNE1 (0.41) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL9071935 0.91 CDK2 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1241686 0.91 CDK2 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1241498 0.91 NTRK1 (0.38) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2656872 0.90 CCNE1 (0.49) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1240621 0.90 CCNE1 (0.49) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2659033 0.89 ITK (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL2668606 0.87 CDK2 (0.40) CCNE2CCNE1CDK2CCNB2CDK1

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