SCHEMBL3669796

SCHEMBL3669796

CC(C)(C)OC(=O)NCC1COCc2cc(N)cnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.35
ACACA Q13085 4/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
DRD2 P14416 1/20 0.33
MAPKAPK2 P49137 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
NAMPT P43490 1/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29960795 0.73 DRD2 (0.45) ACACBACACACKS1BSKP1SKP2
SCHEMBL31554107 0.67 ACACB (0.37) ACACBACACACKS1BSKP1SKP2
SCHEMBL29875921 0.67 GAA (0.42) GAAALDH1A1HPGD
SCHEMBL30782840 0.66 DRD2 (0.36) ACACBACACACKS1BSKP1SKP2
SCHEMBL29959933 0.65 DRD2 (0.46) ACACBACACACKS1BSKP1SKP2
SCHEMBL24756661 0.65 MAPKAPK2 (0.44) MAPKAPK2NAMPTCA1CA2CA9
SCHEMBL13213536 0.63 NFKB1 (0.36) CKS1BSKP1SKP2MAPKAPK2GAA
SCHEMBL31431106 0.62 CACNA1H (0.47) MAPKAPK2AAK1NAMPT
SCHEMBL2750096 0.62 HCRTR2 (0.47) DRD2GAACA1CA2CA7
SCHEMBL590406 0.62 HCRTR2 (0.47) DRD2GAACA1CA2CA7

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-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed