SCHEMBL8286406

SCHEMBL8286406

Cc1cc(OC2CCCC2)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
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 5/20 0.36
KCNH2 Q12809 3/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
GRM5 P41594 2/20 0.35

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
SCHEMBL8285251 0.85 PDE11A (0.48) PDE11APOLBMAPK1GAAHPGD
SCHEMBL8287832 0.84 PDE11A (0.47) PDE11APOLBMAPK1GAAHPGD
SCHEMBL8287893 0.83 PDE11A (0.44) PDE11APOLBMAPK1GAAHPGD
SCHEMBL8285198 0.83 PDE11A (0.45) PDE11APOLBMAPK1GAAHPGD
SCHEMBL8286080 0.82 PDE11A (0.39) PDE11AHRH3KCNH2MAPK1GAA
SCHEMBL8286377 0.82 PDE11A (0.45) PDE11APOLBMAPK1GAAHPGD
SCHEMBL8286395 0.80 PDE11A (0.44) PDE11APOLBMAPK1GAAHPGD
SCHEMBL8285163 0.80 POLB (0.50) PDE11APOLBMAPK1GAAHPGD
SCHEMBL8286413 0.79 PDE11A (0.44) PDE11AHRH3KCNH2GAATDP1
SCHEMBL8286366 0.79 PDE11A (0.43) PDE11APOLBMAPK1GAAHPGD

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