SCHEMBL4455832

SCHEMBL4455832

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccnc(Nc2cc(F)cc(F)c2F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.43
GPR119 Q8TDV5 6/20 0.41
PIK3CA P42336 1/20 0.40
PRKDC P78527 1/20 0.40
SYK P43405 1/20 0.39
USP30 Q70CQ3 1/20 0.39
FAAH O00519 1/20 0.39
SCN9A Q15858 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
LIMK2 P53671 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL389867 0.86 TBK1 (0.46) TBK1GPR119PIK3CAPRKDCSCN9A
SCHEMBL5399443 0.78 GPR119 (0.47) GPR119USP30FAAHLIMK2KDM4E
SCHEMBL391067 0.78 GPR119 (0.47) TBK1GPR119PIK3CAPRKDC
SCHEMBL389112 0.78 TBK1 (0.48) TBK1GPR119PIK3CAPRKDCSCN9A
SCHEMBL391649 0.77 GPR119 (0.46) TBK1GPR119PIK3CAPRKDCLIMK2
SCHEMBL4722370 0.75 TBK1 (0.39) TBK1GPR119
SCHEMBL5395249 0.75 GPR119 (0.53) GPR119FAAHLIMK2KDM4EPKM
SCHEMBL387995 0.75 GPR119 (0.47) TBK1GPR119PIK3CAPRKDCLIMK2
SCHEMBL389718 0.74 TBK1 (0.44) TBK1GPR119PIK3CAPRKDCSCN9A
SCHEMBL386784 0.74 GPR119 (0.46) TBK1GPR119PIK3CAPRKDC

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-1808168-B1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARM INC (US) 2009-06-03 EP disclosed