SCHEMBL1070548

SCHEMBL1070548

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Nc2cccc(C(=O)O)c2F)ncn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.44
GPR119 Q8TDV5 8/20 0.44
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
LIMK2 P53671 1/20 0.40
TGFBR1 P36897 3/20 0.38
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 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
SCHEMBL391649 0.91 GPR119 (0.46) TBK1GPR119KDM4EPKMLIMK2
SCHEMBL390308 0.90 TBK1 (0.46) TBK1GPR119LIMK2TGFBR1
SCHEMBL387995 0.88 GPR119 (0.47) TBK1GPR119KDM4EPKMLIMK2
SCHEMBL391077 0.85 TBK1 (0.47) TBK1GPR119KDM4EPKMLIMK2
SCHEMBL391196 0.85 TBK1 (0.45) TBK1GPR119KDM4EPKMLIMK2
SCHEMBL391565 0.85 TBK1 (0.45) TBK1GPR119KDM4EPKMLIMK2
SCHEMBL391067 0.84 GPR119 (0.47) TBK1GPR119PIK3CAPRKDCSMN1; SMN2
SCHEMBL389112 0.84 TBK1 (0.48) TBK1GPR119PIK3CAPRKDCSMN1; SMN2
SCHEMBL389867 0.84 TBK1 (0.46) TBK1GPR119PIK3CAPRKDCCYP3A4
SCHEMBL386784 0.83 GPR119 (0.46) TBK1GPR119PIK3CAPRKDCCYP3A4

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-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed