SCHEMBL8286452

SCHEMBL8286452

Cc1cc(NC(=O)c2ccccc2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.44
POLB P06746 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
KDR P35968 1/20 0.41
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.39
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL8286445 0.89 TSHR (0.46) PDE11APOLBGAAMAPTKDM4E
SCHEMBL8285238 0.87 PDE11A (0.49) PDE11APOLBGAAMAPTKDM4E
SCHEMBL8287830 0.85 PDE11A (0.48) PDE11APOLBGAAMAPTKDM4E
SCHEMBL8285244 0.84 PDE11A (0.44) PDE11APOLBGAAMAPTKDM4E
SCHEMBL8287471 0.83 PDE11A (0.45) PDE11APOLBGAAMAPTKDM4E
SCHEMBL8286439 0.83 MAPT (0.52) PDE11AGAAMAPTKDM4EHTT
SCHEMBL8287405 0.83 OPRK1 (0.53) PDE11APOLBGAAMAPTKDM4E
SCHEMBL8285149 0.82 PDE11A (0.47) PDE11APOLBGAAMAPTKDM4E
SCHEMBL8285358 0.82 GAA (0.43) PDE11APOLBGAAMAPTKDM4E
SCHEMBL8286440 0.82 PDE11A (0.48) PDE11APOLBGAAMAPTKDM4E

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