SCHEMBL31662391

SCHEMBL31662391

NC(=O)c1cc2cnn(C3CC3)c2cc1Oc1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.37
PARP10 Q53GL7 1/20 0.36
KCNH2 Q12809 2/20 0.34
ALK Q9UM73 1/20 0.34
MCHR2 Q969V1 2/20 0.34
MCHR1 Q99705 2/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
BTK Q06187 2/20 0.33
SCN9A Q15858 1/20 0.33
SYK P43405 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 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
SCHEMBL31662349 0.86 GPR119 (0.36) GPR119MCHR2MCHR1SCN9ASYK
SCHEMBL31662483 0.81 SYK (0.41) PARP10SCN9ASYKIRAK4PDE1C
SCHEMBL31661984 0.80 IKBKB (0.42) MCHR2MCHR1HTR1APRMT5
SCHEMBL31662129 0.80 MAPK1 (0.38) GPR119JAK1JAK3SYKIRAK4
SCHEMBL31661918 0.78 GPR119 (0.34) GPR119PRMT5
SCHEMBL31662194 0.71 SCN9A (0.43) SCN9APDE1C
SCHEMBL31662113 0.71 SCN9A (0.39) SCN9ASYKIRAK4
SCHEMBL31662421 0.69 MCL1 (0.44) SCN9ASYKPRMT5
SCHEMBL31662453 0.69 MKNK1 (0.39) SCN9ASYK
SCHEMBL22843175 0.66 RXRA (0.48) PARP10KCNH2SYKIRAK4

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