SCHEMBL8287591

SCHEMBL8287591

O=C(CNc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PTGS2 P35354 1/20 0.39
TNK2 Q07912 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAP3K8 P41279 1/20 0.37
SRC P12931 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
SCHEMBL8287514 0.86 EGFR (0.42) PDE11AMAPTGAASMN1; SMN2RAB9A
SCHEMBL8287237 0.85 PDE11A (0.43) LMNAPDE11AALDH1A1KDM4EHSP90AA1
SCHEMBL8287462 0.83 PDE11A (0.44) PDE11AALDH1A1KDM4EMAPTGAA
SCHEMBL8287483 0.83 ADORA3 (0.45) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL8287481 0.81 MAT2A (0.49) KDM4EHTTTNK2MAPK1GAA
SCHEMBL8287565 0.80 HTT (0.41) ALDH1A1KDM4EHTTMAPTHPGD
SCHEMBL8362929 0.79 PIK3CA (0.44) LMNAPDE11AMAPK1MAPTGAA
SCHEMBL8287452 0.79 PDE11A (0.55) LMNAPDE11AALDH1A1KDM4EHTT
SCHEMBL8362927 0.79 MAT2A (0.44) LMNAALDH1A1KDM4EHTTMAPT
SCHEMBL8286576 0.79 PDE11A (0.44) LMNAPDE11AALDH1A1HTTTNK2

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