SCHEMBL8286367

SCHEMBL8286367

CC1CN(c2cc(C(F)(F)F)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)CC(C)O1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.73
PRKDC P78527 1/20 0.40
SYK P43405 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
GAK O14976 1/20 0.35
CLK2 P49760 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL8286093 0.90 PDE11A (0.59) PDE11APRKDCSYKALDH1A1PIK3CA
SCHEMBL8286388 0.89 PDE11A (0.58) PDE11APRKDCSYKALDH1A1HSD17B10
SCHEMBL8285153 0.87 PDE11A (0.54) PDE11APRKDCALDH1A1HSD17B10KDM4E
SCHEMBL8287579 0.85 PDE11A (0.58) PDE11ASYKALDH1A1HSD17B10KDM4E
SCHEMBL8286364 0.85 PDE11A (0.87) PDE11AHSD17B10KDM4EHPGDMAPT
SCHEMBL8285154 0.84 PDE11A (1.00) PDE11AKDM4ENPSR1PIK3CAPIK3CD
SCHEMBL8285158 0.84 PDE11A (0.80) PDE11AALDH1A1HSD17B10KDM4ETDP1
SCHEMBL5871369 0.84 PDE11A (0.82) PDE11APRKDCALDH1A1GAANPSR1
SCHEMBL8285151 0.83 PDE11A (0.80) PDE11AALDH1A1HSD17B10MAPT
SCHEMBL8287889 0.80 PDE11A (0.73) PDE11ASCN9A

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