SCHEMBL8286388

SCHEMBL8286388

C[C@@H]1CN(c2cc(C(F)(F)F)c3c(=O)cc(Nc4cccc(F)c4)n(-c4cccc(F)c4)c3n2)C[C@H](C)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.58
PRKDC P78527 1/20 0.35
PIK3CA P42336 5/20 0.34
PIK3CD O00329 5/20 0.34
PIK3CB P42338 5/20 0.34
PIK3CG P48736 5/20 0.34
CLK2 P49760 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SCN9A Q15858 1/20 0.33
SYK P43405 1/20 0.33
MDM2 Q00987 1/20 0.32
SOS1 Q07889 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
MTOR P42345 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8286367 0.89 PDE11A (0.73) PDE11APRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL8286093 0.86 PDE11A (0.59) PDE11APRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL8286385 0.86 PDE11A (0.79) PDE11APIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL8287141 0.79 PIK3CA (0.38) PDE11APRKDCPIK3CAMEN1KMT2A
SCHEMBL8287868 0.77 PDE11A (0.47) PDE11AMDM2
SCHEMBL8286378 0.77 PDE11A (0.49) PDE11ASCN9AMDM2NPC1RAB9A
SCHEMBL8285153 0.76 PDE11A (0.54) PDE11APRKDCPIK3CAPIK3CDPIK3CB
SCHEMBL8361753 0.75 PDE11A (0.46) PDE11ASYKMDM2MEN1KMT2A
SCHEMBL8287579 0.75 PDE11A (0.58) PDE11ASYKHSD17B10NPC1RAB9A
SCHEMBL8286059 0.75 PDE11A (0.45) PDE11APRKDCLRRK2MEN1KMT2A

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed