SCHEMBL2606478

SCHEMBL2606478

CCNCCSc1cnc(NC(=O)N(C2CCCCC2)C2CCN(C(C)=O)CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.43
CDK2 P24941 5/20 0.41
CCNE2 O96020 4/20 0.41
CCNE1 P24864 4/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITK Q08881 10/20 0.40
BMX P51813 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL999340 0.89 MAPT (0.50) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL1000071 0.87 MAPT (0.48) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL1000624 0.87 MAPT (0.48) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL1000552 0.87 MAPT (0.48) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL1000427 0.85 MAPT (0.50) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL1000598 0.85 MAPT (0.50) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL1000120 0.84 MAPT (0.49) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL999470 0.84 MAPT (0.52) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL1000949 0.84 MAPT (0.45) MAPTMAPK1HTTCDK2CCNE2
SCHEMBL1000137 0.83 CDK1 (0.57) MAPTMAPK1HTTCDK2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed