SCHEMBL8286117

SCHEMBL8286117

O=C(Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.59
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
PTGES O14684 1/20 0.38
P2RX1 P51575 1/20 0.37
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8286113 0.89 PDE11A (0.60) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286121 0.89 PDE11A (0.60) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286116 0.85 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8287114 0.85 PDE11A (0.59) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285152 0.84 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8287838 0.83 PDE11A (0.57) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285196 0.83 PDE11A (0.64) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286369 0.83 PDE11A (0.59) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285159 0.82 PDE11A (0.53) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8285142 0.82 PDE11A (0.60) PDE11AMEN1KMT2AMAPTLMNA

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