SCHEMBL8601147

SCHEMBL8601147

Oc1ccnc2cc(N3CCOCC3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 13/20 0.56
PIK3CD O00329 2/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CB P42338 2/20 0.56
PIK3CG P48736 1/20 0.51
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
SLC2A1 P11166 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACVR1 Q04771 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45

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
SCHEMBL33377163 0.82 PRKDC (0.56) PRKDCPIK3CDPIK3CAPIK3CBCDK1
SCHEMBL24384617 0.79 PRKDC (0.52) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28511289 0.79 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28159119 0.78 GAA (0.65) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8600213 0.75 MAPT (0.54) MEN1KMT2AMAPT
SCHEMBL2419958 0.73 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL17804470 0.73 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL14972404 0.73 PRKDC (0.49) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30210341 0.73 LGMN (0.53) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23999520 0.73 MAPKAPK2 (0.54) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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
US-5773449-A BACTERICIDES FOR HELICOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1998-06-30 US disclosed
EP-0786454-A1 THIOQUINOLONE DERIVATIVE ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1997-07-30 EP disclosed