SCHEMBL30966651

SCHEMBL30966651

C[C@H]1NC(=O)NN=C1c1ccc(N2C[C@@H]3C[C@H]3C2)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 19/20 0.60
▸ PDE3A Q14432 18/20 0.60
▸ NOTUM Q6P988 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43

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
SCHEMBL28628042 0.85 PDE3B (0.57) PDE3BPDE3ANOTUMPDE4APDE4B
SCHEMBL28615422 0.84 PDE3B (0.70) PDE3BPDE3ANOTUMPDE4APDE4B
SCHEMBL22288449 0.83 PDE3B (0.72) PDE3BPDE3ANOTUM
SCHEMBL30966654 0.83 PDE3B (0.72) PDE3BPDE3ANOTUM
SCHEMBL28615454 0.83 PDE3B (0.59) PDE3BPDE3ANOTUMPDE4APDE4B
SCHEMBL30966600 0.83 PDE3B (0.71) PDE3BPDE3ANOTUMPDE4APDE4B
SCHEMBL22288422 0.83 PDE3B (0.71) PDE3BPDE3ANOTUMPDE4APDE4B
SCHEMBL22288567 0.82 PDE3B (0.56) PDE3BPDE3ANOTUMPDE4APDE4B
SCHEMBL30966662 0.82 PDE3B (0.56) PDE3BPDE3ANOTUMPDE4APDE4B
SCHEMBL22288837 0.81 PDE3B (0.64) 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
CN-113348165-B 1,2, 4-Triazin-3 (2H) -one compounds for the treatment of hyperproliferative diseases 拜耳股份有限公司 2024-06-25 — — CN disclosed
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