SCHEMBL25245072

SCHEMBL25245072

C[C@H]1CCN1c1nc(N2CC(O)C2)cc(C(F)(F)F)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 20/20 0.68
▸ PDE10A Q9Y233 1/20 0.68

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
SCHEMBL25289832 1.00 KHK (0.68) KHKPDE10A
SCHEMBL30454944 1.00 KHK (0.68) KHKPDE10A
SCHEMBL30954208 0.93 KHK (0.66) KHKPDE10A
SCHEMBL30954180 0.93 KHK (0.66) KHKPDE10A
SCHEMBL30016350 0.88 KHK (0.65) KHKPDE10A
SCHEMBL24699193 0.88 KHK (0.65) KHKPDE10A
SCHEMBL30456470 0.86 KHK (0.62) KHKPDE10A
SCHEMBL29030924 0.83 KHK (0.81) KHKPDE10A
SCHEMBL30567265 0.83 KHK (0.81) KHKPDE10A
SCHEMBL29030931 0.83 KHK (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4434982-A1 (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2024-09-25 — — EP 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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