SCHEMBL8802500

SCHEMBL8802500

CC(C)Cc1n[nH]c2c1c(=O)n(-c1ccccc1)c1ncccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE4A P27815 7/20 0.50
PDE4B Q07343 6/20 0.50
PDE4C Q08493 6/20 0.50
PDE4D Q08499 6/20 0.50
FEN1 P39748 1/20 0.44
DRD1 P21728 5/20 0.43
DRD5 P21918 5/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
LDHA P00338 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL4189450 0.85 PDE1A (0.53) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2410839 0.84 PDE1A (0.66) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2411059 0.83 PDE1A (0.59) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2409801 0.82 PDE1A (0.57) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL8803918 0.82 PDE1A (0.56) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2411634 0.81 PDE1A (0.52) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL4185641 0.81 PDE1A (0.51) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL2415828 0.81 PDE1A (0.53) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL4187908 0.81 PDE1A (0.56) PDE1APDE1BPDE4APDE4BPDE4C
SCHEMBL4183665 0.80 PDE1A (0.53) PDE1APDE1BPDE4APDE4BPDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526840-B1 Condensed naphthyridine derivatives KYOWA HAKKO KOGYO KK (JP) 1997-10-22 EP disclosed
US-5281610-A Pyrazolonaphthyridine pharmaceuticals KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-01-25 US disclosed
EP-0526840-A1 Condensed naphthyridine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-02-10 EP disclosed