SCHEMBL31662540

SCHEMBL31662540

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCOC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
CHEK2 O96017 3/20 0.43
PDE4D Q08499 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
BCDIN3D Q7Z5W3 1/20 0.37

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
SCHEMBL31662592 0.91 CHEK2 (0.48) GPR119CHEK2PDE4DPDE4APDE4B
SCHEMBL31662186 0.90 CHEK2 (0.39) CHEK2
SCHEMBL31661895 0.87 PIK3CD (0.39) CHEK2
SCHEMBL31662228 0.86 SCN9A (0.39) CHEK2
SCHEMBL31661947 0.86 SCN9A (0.36) PDE4D
SCHEMBL31662385 0.84 CHEK2 (0.41) GPR119CHEK2PDE4DPDE4APDE4B
SCHEMBL31661963 0.83 SCN9A (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL31662522 0.83 SCN9A (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL31662015 0.83 SCN9A (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL31662466 0.83 CHEK2 (0.40) GPR119CHEK2PDE4DPDE4APDE4B

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed