SCHEMBL8285254

SCHEMBL8285254

O=C(O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.59
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SCD O00767 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SYK P43405 2/20 0.33
AURKA O14965 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8285257 0.93 PDE11A (0.57) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285263 0.92 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8362903 0.91 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285280 0.91 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285258 0.90 PDE11A (0.55) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285266 0.88 PDE11A (0.57) PDE11AMEN1KMT2AGAAMAPT
SCHEMBL8285287 0.86 PDE11A (0.63) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286114 0.86 PDE11A (0.53) PDE11AMEN1KMT2APOLBLMNA
SCHEMBL8285267 0.85 PDE11A (0.62) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8287167 0.85 PDE11A (0.44) PDE11APOLBGAAMAPTHTT

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