SCHEMBL30454929

SCHEMBL30454929

C[C@H]1CCN1c1nc(N2CCN(CC(=O)N3CCNCC3)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 20/20 0.65
▸ PDE10A Q9Y233 1/20 0.56

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
SCHEMBL25290857 1.00 KHK (0.65) KHKPDE10A
SCHEMBL25245366 1.00 KHK (0.65) KHKPDE10A
SCHEMBL30456022 0.87 KHK (0.60) KHKPDE10A
SCHEMBL30954225 0.87 KHK (0.60) KHKPDE10A
SCHEMBL31212736 0.86 KHK (0.53) KHKPDE10A
SCHEMBL25771044 0.86 KHK (0.53) KHKPDE10A
SCHEMBL30567283 0.85 KHK (0.68) KHKPDE10A
SCHEMBL29030930 0.85 KHK (0.68) KHKPDE10A
SCHEMBL29030897 0.85 KHK (0.68) KHKPDE10A
SCHEMBL25289909 0.85 KHK (0.57) KHKPDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118414332-A (S) -2- (2-methylazetidin-1-yl) pyrimidine derivatives and pharmaceutical compositions containing the same 株式会社LG化学 2024-07-30 — — CN claimed
WO-2023121378-A1 (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엘지화학 2023-06-29 — — WO claimed
CN-118414332-A (S) -2- (2-methylazetidin-1-yl) pyrimidine derivatives and pharmaceutical compositions containing the same 株式会社LG化学 2024-07-30 — — CN disclosed
WO-2023121378-A1 (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엘지화학 2023-06-29 — — WO disclosed
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