SCHEMBL7167745

SCHEMBL7167745

C=CCNC(=O)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.53
▸ KCNH2 Q12809 11/20 0.53
▸ PDE4B Q07343 4/20 0.44
▸ PDE4C Q08493 4/20 0.44
▸ PDE4D Q08499 4/20 0.44
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL7688432 0.85 PDE4A (0.55) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7172514 0.84 PDE4A (0.60) PDE4AKCNH2TP53MAPT
SCHEMBL7169134 0.84 PDE4A (0.60) PDE4AKCNH2TP53MAPT
SCHEMBL7167992 0.84 PDE4A (0.53) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7172524 0.84 KCNH2 (0.53) PDE4AKCNH2TP53MAPT
SCHEMBL7171340 0.84 PDE4A (0.71) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7169620 0.83 PDE4A (0.58) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7690323 0.83 PDE4A (0.61) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7169919 0.83 PDE4A (0.62) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7169618 0.83 PDE4A (0.55) PDE4AKCNH2

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
US-6541480-B2 Controlling cytokines SUNTORY LIMITED (JP) 2003-04-01 — — US disclosed
US-6297248-B1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor SUNTORY LIMITED (JP) 2001-10-02 — — US disclosed
Send feedback