SCHEMBL31662062

SCHEMBL31662062

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCN4CCCC4=O)cc3)c21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
POLB P06746 1/20 0.46
PDK2 Q15119 6/20 0.40
EGFR P00533 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.39
ITK Q08881 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PLA2G7 Q13093 1/20 0.36
PTK2 Q05397 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL31662190 0.96 SMN1; SMN2 (0.42) CCNCCDK8POLBPDK2EGFR
SCHEMBL31662018 0.86 SCN9A (0.39) CCNCCDK8SCN9A
SCHEMBL31662157 0.85 CYP11B2 (0.41) PDK2SCN9A
SCHEMBL31662052 0.84 SCN9A (0.38) SCN9A
SCHEMBL31662096 0.83 PRKAB2 (0.42) PDK2SCN9AKMT2ALMNA
SCHEMBL31662002 0.83 SCN9A (0.37) SMN1; SMN2SCN9AMEN1KMT2A
SCHEMBL31662377 0.82 SCN9A (0.43) SCN9A
SCHEMBL31662222 0.81 TBXAS1 (0.43) SCN9AMEN1KMT2ALMNA
SCHEMBL31662417 0.81 SCN9A (0.41) SCN9A
SCHEMBL31662167 0.81 SCN9A (0.38) PDK2SCN9A

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