SCHEMBL8286397

SCHEMBL8286397

Cc1cc(C(=O)NC2CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RIPK1 Q13546 1/20 0.44
PDE11A Q9HCR9 1/20 0.44
MAPK14 Q16539 1/20 0.42
PDE4B Q07343 8/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.38
PDE4D Q08499 4/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL8287393 0.87 PDE11A (0.46) KDM4EHPGDRIPK1PDE11ANPC1
SCHEMBL5872175 0.87 PDE11A (0.47) KDM4EHPGDHSD17B10PDE11AHTT
SCHEMBL8285169 0.86 PDE11A (0.45) KDM4EHPGDPDE11AMAPK14NPC1
SCHEMBL5871541 0.86 PDE11A (0.46) KDM4EHPGDHSD17B10PDE11ANPC1
SCHEMBL8285171 0.85 PDE11A (0.44) KDM4EHPGDHSD17B10PDE11ACNR2
SCHEMBL8287397 0.85 PDE11A (0.46) KDM4EHPGDHSD17B10PDE11APDE4B
SCHEMBL8285180 0.85 PDE11A (0.43) KDM4EHPGDHSD17B10PDE11ACNR2
SCHEMBL8286399 0.84 PDE11A (0.46) KDM4EHPGDHSD17B10RIPK1PDE11A
SCHEMBL8286396 0.84 PDE11A (0.44) KDM4EHPGDHSD17B10PDE11AHTT
SCHEMBL8285155 0.84 PDE11A (0.47) KDM4EHPGDRIPK1PDE11AHTT

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