SCHEMBL22308339

SCHEMBL22308339

CC1CCN(c2ccc(C3=NNC(=O)CN3)cc2C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.48
PDE3A Q14432 18/20 0.48
NOTUM Q6P988 2/20 0.40

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
SCHEMBL22309157 0.84 PDE3B (0.59) PDE3BPDE3ANOTUM
SCHEMBL22308889 0.84 PDE3B (0.63) PDE3BPDE3ANOTUM
SCHEMBL22309166 0.84 PDE3B (0.54) PDE3BPDE3ANOTUM
SCHEMBL22307790 0.82 PDE3B (0.61) PDE3BPDE3ANOTUM
SCHEMBL22307819 0.81 PDE3B (0.60) PDE3BPDE3ANOTUM
SCHEMBL22307815 0.81 PDE3B (0.57) PDE3BPDE3ANOTUM
SCHEMBL22308353 0.80 PDE3B (0.61) PDE3BPDE3ANOTUM
SCHEMBL22308342 0.80 PDE3B (0.53) PDE3BPDE3ANOTUM
SCHEMBL22307803 0.80 PDE3B (0.53) PDE3BPDE3ANOTUM
SCHEMBL22307801 0.80 PDE3B (0.53) PDE3BPDE3ANOTUM

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-2020157189-A1 1,2,4-TRIAZIN-6(1H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed