SCHEMBL31662385

SCHEMBL31662385

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.41
GPR119 Q8TDV5 10/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39

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
SCHEMBL31662592 0.93 CHEK2 (0.48) CHEK2GPR119PDE4APDE4BPDE4C
SCHEMBL31662466 0.92 CHEK2 (0.40) CHEK2GPR119MAPTPDE4APDE4B
SCHEMBL31662506 0.85 MEN1 (0.42) CHEK2GPR119KDM4EMEN1USP2
SCHEMBL31662540 0.84 GPR119 (0.43) CHEK2GPR119PDE4APDE4BPDE4C
SCHEMBL31662578 0.84 CD38 (0.37) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL31662561 0.82 CHEK2 (0.44) CHEK2GPR119
SCHEMBL31662484 0.81 GPR119 (0.40) CHEK2GPR119ALDH1A1MAPT
SCHEMBL31662035 0.81 SCN9A (0.39) CHEK2ALDH1A1MAPT
SCHEMBL7399145 0.80 GPR119 (0.56) CHEK2GPR119KDM4EMEN1KMT2A
SCHEMBL31662006 0.77 GCK (0.43) MEN1ALDH1A1HPGDKMT2A

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