SCHEMBL31661981

SCHEMBL31661981

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCC(=O)NC4CCOCC4)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.43
JAK3 P52333 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
ATF4 P18848 1/20 0.39
POLB P06746 1/20 0.38
PRMT5 O14744 2/20 0.38
ROCK2 O75116 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL31662260 0.83 MAPT (0.50) KMT2AMEN1HPGDLMNAPOLB
SCHEMBL31662199 0.83 JAK1 (0.40) JAK1JAK3ROCK2
SCHEMBL31662165 0.82 IRAK4 (0.37) JAK1JAK3ROCK2
SCHEMBL31662042 0.82 IRAK4 (0.41) JAK1JAK3
SCHEMBL31662285 0.82 FKBP1A (0.50) HPGDHTTRAB9ALMNAPOLB
SCHEMBL31661929 0.82 IRAK4 (0.37) JAK1JAK3ROCK2
SCHEMBL31662421 0.80 MCL1 (0.44) KMT2AMEN1PRMT5
SCHEMBL31662279 0.79 IRAK4 (0.37) JAK1JAK3ATF4ROCK2
SCHEMBL31662135 0.79 IRAK4 (0.37) JAK1JAK3ATF4ROCK2
SCHEMBL31662162 0.79 IRAK4 (0.37) JAK1JAK3ATF4ROCK2

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