SCHEMBL20142919

SCHEMBL20142919

CC1CC(=O)N(CC(F)F)N=C1c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3A Q14432 9/20 0.33
CYP19A1 P11511 4/20 0.31
PDE3B Q13370 2/20 0.30

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
SCHEMBL20142921 0.84 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL25095015 0.83 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL20138859 0.82 HRH3 (0.37) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL20138985 0.82 HRH3 (0.37) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL20142956 0.82 HRH3 (0.37) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL20159108 0.81 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL20159430 0.81 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL20159193 0.79 HCRTR1 (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL20159428 0.79 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL20159121 0.79 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DPDE3A

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
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed