SCHEMBL24704153

SCHEMBL24704153

N#CC=C(c1ccncc1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.46
PDE4B Q07343 14/20 0.46
PDE4C Q08493 14/20 0.46
PDE4D Q08499 14/20 0.46
CYP19A1 P11511 1/20 0.41
CYP11B2 P19099 1/20 0.41
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL24704167 0.92 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL127735 0.92 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL127734 0.92 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL5948110 0.89 LTA4H (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5948108 0.89 LTA4H (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL17128920 0.80 NAPRT (0.43) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL4824714 0.79 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL7249557 0.79 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824723 0.79 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL8164843 0.79 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255228-A1 COMPOSITION, CURED PRODUCT OR COMPACT, OPTICAL MEMBER, AND LENS 富士フイルム株式会社 2022-12-08 WO disclosed