SCHEMBL31661867

SCHEMBL31661867

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(N4CC(OCCO)C4)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.37
TGFBR1 P36897 2/20 0.34
ACVR1 Q04771 2/20 0.34
ACACB O00763 2/20 0.33
CD38 P28907 1/20 0.33
KCNH2 Q12809 1/20 0.32
CHEK2 O96017 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
TRPC6 Q9Y210 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL31662045 0.87 KIT (0.39) SCN9A
SCHEMBL31662607 0.79 KIT (0.39)
SCHEMBL31662072 0.79 SCN9A (0.39) SCN9ACD38CHEK2
SCHEMBL17888562 0.78 PARP14 (0.35) CHEK2PARP14PARP10
SCHEMBL31662035 0.78 SCN9A (0.39) SCN9ACD38CHEK2
SCHEMBL31662580 0.78 PARP10 (0.46) SCN9ACHEK2PARP14PARP10
SCHEMBL31661975 0.78 CHEK2 (0.41) SCN9ACD38CHEK2
SCHEMBL31662144 0.77 PARP15 (0.51) SCN9ACHEK2PARP10
SCHEMBL31662377 0.77 SCN9A (0.43) SCN9ACHEK2PARP10
SCHEMBL17899151 0.77 ACACB (0.36) SCN9AACACBPARP14PARP10

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