SCHEMBL31661898

SCHEMBL31661898

Cn1cnnc1-c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)n2cncc2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.34
SRC P12931 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTR6 P50406 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL31662168 0.94 TTK (0.30) TTKSRC
SCHEMBL31662100 0.90
SCHEMBL31661862 0.90 HTR6 (0.34) SRCHTR6
SCHEMBL31661926 0.90 TTK (0.32) TTKSRC
SCHEMBL31662219 0.88 SRC (0.33) SRCGSK3BDYRK1AHTR6
SCHEMBL31662359 0.85 QPCTL (0.42)
SCHEMBL31662163 0.85 SMN1; SMN2 (0.34)
SCHEMBL31662091 0.82
SCHEMBL31662234 0.82
SCHEMBL31662171 0.80 TTK (0.36) TTKSRCGSK3BDYRK1ACCNA2

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