SCHEMBL29698511

SCHEMBL29698511

CC1CC(=O)NN=C1c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.54
PDE3B Q13370 6/20 0.51
PDE3A Q14432 6/20 0.51
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49

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
SCHEMBL10463602 0.83 PDE3B (0.57) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL10463603 0.83 PDE3B (0.68) GPR119PDE3BPDE3A
SCHEMBL2590656 0.82 GPR119 (0.77) GPR119
Hydrochloric Acid SCHEMBL9781443 0.81 PDE3B (0.56) GPR119PDE3BPDE3APDE4APDE4B
Hydrochloric Acid SCHEMBL9781446 0.81 PDE3B (0.66) GPR119PDE3BPDE3A
SCHEMBL7294564 0.79 GPR119 (0.61) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL7952005 0.74 KDM4E (0.68)
SCHEMBL14063447 0.72 KDM4E (0.66)
SCHEMBL10353457 0.72 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157195 0.72 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C

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
CN-114605388-B Stimulus-responsive nitrogen heterocyclic compound, and preparation method and application thereof 广东南华工商职业学院 2024-05-03 CN disclosed
CN-114605388-A Stimulus-response type nitrogen heterocyclic compound and preparation method and application thereof 广东南华工商职业学院 2022-06-10 CN disclosed