SCHEMBL31662592

SCHEMBL31662592

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCOC4CCN(C(=O)OC(C)(C)C)CC4)cc3)c21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.48
GPR119 Q8TDV5 9/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP3A4 P08684 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38

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
SCHEMBL31662385 0.93 CHEK2 (0.41) CHEK2GPR119PDE4APDE4BPDE4C
SCHEMBL31662466 0.91 CHEK2 (0.40) CHEK2GPR119PDE4APDE4BPDE4C
SCHEMBL31662540 0.91 GPR119 (0.43) CHEK2GPR119PDE4APDE4BPDE4C
SCHEMBL31662035 0.88 SCN9A (0.39) CHEK2
SCHEMBL31662561 0.86 CHEK2 (0.44) CHEK2GPR119BCDIN3D
SCHEMBL31662072 0.84 SCN9A (0.39) CHEK2PDE4D
SCHEMBL31661975 0.84 CHEK2 (0.41) CHEK2
SCHEMBL31662506 0.82 MEN1 (0.42) CHEK2GPR119
SCHEMBL31661893 0.81 SCN9A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL31662085 0.81 SCN9A (0.38) PDE4APDE4BPDE4CPDE4D

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