SCHEMBL7272576

SCHEMBL7272576

O=c1c2[nH]c(S)nc2c2cccnc2n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.67
PDE4B Q07343 6/20 0.67
PDE4C Q08493 6/20 0.67
PDE4D Q08499 6/20 0.67
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
FEN1 P39748 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
LOXL3 P58215 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
LDHA P00338 1/20 0.43
LMNA P02545 4/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL7278277 0.85 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL7272381 0.85 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL7278758 0.84 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL7271411 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL7278448 0.75 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL7278478 0.75 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE1A
Hydrochloric Acid SCHEMBL7282373 0.74 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL2457079 0.73 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL9432250 0.72 NPSR1 (0.49) PDE4APDE4BPDE4CPDE4DPDE1A
Hydrochloric Acid SCHEMBL7272343 0.72 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459505-B1 Imidazonaphthyridine derivatives KYOWA HAKKO KOGYO KK (JP) 1996-10-02 EP disclosed
US-5536730-A ANTIINFLAMMATORY, ANTIALLERGIC AND BRONCHODILATIVE ACTIVITY KYOWA HAKKO KOGYO CO. LTD. (JP) 1996-07-16 US disclosed
US-5468756-A Antiinflammatory, antiallergen KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-21 US disclosed
EP-0459505-A1 Imidazonaphthyridine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-04 EP disclosed