SCHEMBL31662059

SCHEMBL31662059

NC(=O)c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)c2[nH]ncc2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.35
CD38 P28907 3/20 0.34
CHEK2 O96017 7/20 0.34
NAMPT P43490 1/20 0.34
IGF1R P08069 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE10A Q9Y233 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL31662413 0.89 CD38 (0.39) PDE4DCD38NAMPT
SCHEMBL31662148 0.83 BTK (0.37) TBK1CYP11B1CYP11B2
SCHEMBL31662072 0.81 SCN9A (0.39) PDE4DCD38CHEK2
SCHEMBL17899127 0.77 CHEK2 (0.38) PDE4DCHEK2PARP10
SCHEMBL17888615 0.76 PDE4D (0.38) PDE4DCHEK2PARP10TBK1
SCHEMBL17888598 0.76 PARP10 (0.38) PDE4DCHEK2PARP10
SCHEMBL31661893 0.76 SCN9A (0.38) PDE4DCD38
SCHEMBL31662085 0.76 SCN9A (0.38) PDE4DCD38
SCHEMBL31661916 0.76 ICAM1 (0.34) PDE4DPARP10CYP11B2
SCHEMBL17899375 0.76 CHEK2 (0.39) PDE4DCHEK2PARP10

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