SCHEMBL20142915

SCHEMBL20142915

CC1CC(=O)N(C2CCN(C)CC2)N=C1c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 4/20 0.34
PDE4D Q08499 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP19A1 P11511 1/20 0.33
CES2 O00748 1/20 0.33
ALOX15 P16050 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ADRA2C P18825 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20159390 0.91 PDE4D (0.38) PDE3BPDE3AHRH3PDE4DPDE4A
SCHEMBL20159105 0.88 CES2 (0.43) PDE3BPDE3AHRH3PDE4DPDE4A
SCHEMBL20159214 0.88 HRH3 (0.41) PDE3BPDE3AHRH3PDE4DPDE4A
SCHEMBL20138907 0.85 PDE4A (0.40) PDE3BPDE3AHRH3PDE4DPDE4A
SCHEMBL20159213 0.85 PDE4A (0.40) PDE3BPDE3AHRH3PDE4DPDE4A
SCHEMBL20142922 0.85 PDE4A (0.40) PDE3BPDE3AHRH3PDE4DPDE4A
SCHEMBL20138813 0.78 PDE4A (0.40) PDE3BPDE3APDE4DPDE4APDE4B
SCHEMBL20142927 0.78 PDE4A (0.40) PDE3BPDE3APDE4DPDE4APDE4B
SCHEMBL20159190 0.78 PDE4A (0.40) PDE3BPDE3APDE4DPDE4APDE4B
SCHEMBL20159391 0.73 PDE4A (0.38) PDE3BPDE3AGAAHRH3PDE4D

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