SCHEMBL31661868

SCHEMBL31661868

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCCN4CCOC4=O)cc3F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
CYP11B2 P19099 1/20 0.36
DRD4 P21917 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR3A P46098 3/20 0.34
RET P07949 2/20 0.34
KDR P35968 2/20 0.34
PLK4 O00444 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
MST1R Q04912 1/20 0.34
DDR1 Q08345 1/20 0.34
MERTK Q12866 1/20 0.34
CAMK4 Q16566 1/20 0.34
DDR2 Q16832 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
SCN9A Q15858 3/20 0.34

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
SCHEMBL31661995 0.90 PDK2 (0.38) PDK2CYP11B2HTR3AKDRSCN9A
SCHEMBL31662183 0.90 SCN9A (0.39) PDK2DRD4SIGMAR1HTR3ARET
SCHEMBL31662065 0.89 PRKAB2 (0.39) PDK2DRD4SIGMAR1HTR3ARET
SCHEMBL31662023 0.86 PDK2 (0.42) PDK2KDM4EALDH1A1POLB
SCHEMBL31662068 0.85 CYP11B2 (0.36) PDK2CYP11B2HTR3ASCN9AKDM4E
SCHEMBL31662241 0.82 PDK2 (0.38) PDK2DRD4SIGMAR1HTR3ARET
SCHEMBL31662140 0.82 GAA (0.46) DRD4SIGMAR1RETNTRK1KDM4E
SCHEMBL31662469 0.82 PRKAB2 (0.45) PDK2DRD4SIGMAR1HTR3ARET
SCHEMBL31662441 0.81 SCN9A (0.37) RETKDRPLK4NTRK1MET
SCHEMBL31662208 0.81 HPGD (0.42) DRD4SIGMAR1NTRK1SCN9AALDH1A1

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