SCHEMBL9799632

SCHEMBL9799632

O=c1c2c(c3cccnc3n1-c1ccccc1)N(c1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.50
PDE4A P27815 7/20 0.49
PDE4B Q07343 6/20 0.49
PDE4C Q08493 6/20 0.49
PDE4D Q08499 6/20 0.49
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
LDHA P00338 1/20 0.41
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL9799715 0.90 ALDH1A1 (0.47) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9799505 0.85 MEN1 (0.47) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9799506 0.84 PDE4A (0.54) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9799533 0.84 FEN1 (0.50) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9799507 0.79 PDE4A (0.50) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9535305 0.79 FEN1 (0.55) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9532938 0.79 FEN1 (0.55) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9799483 0.77 PDE4A (0.46) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9799482 0.76 MAPT (0.43) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9799616 0.75 PDE4A (0.53) FEN1PDE4APDE4BPDE4CPDE4D

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
US-4996212-A Antiinflammatory and anti-hyperproliferative compounds SCHERING CORPORATION (US) 1991-02-26 US claimed
US-4996212-A Antiinflammatory and anti-hyperproliferative compounds SCHERING CORPORATION (US) 1991-02-26 US disclosed
US-4859669-A Antiinflammatory and anti-hyperproliferative naphthyridin-4-ones SCHERING CORPORATION (US) 1989-08-22 US disclosed