SCHEMBL31661923

SCHEMBL31661923

Cn1cnnc1-c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)c2c(cnn2C)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 16/20 0.38
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
LRRK2 Q5S007 1/20 0.33
CD38 P28907 1/20 0.33
HTR6 P50406 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
SCHEMBL31661954 0.93 TTK (0.32) TTKLRRK2CD38HTR6
SCHEMBL31661962 0.91 TTK (0.35) TTKLRRK2CD38HTR6
SCHEMBL31661978 0.90 TTK (0.35) TTKGSK3BDYRK1ACCNA2CDK2
SCHEMBL31662202 0.87 GSK3B (0.36) TTKGSK3BDYRK1ALRRK2CD38
SCHEMBL31661988 0.84 LRRK2 (0.36) GSK3BDYRK1ALRRK2CD38HTR6
SCHEMBL31662230 0.82 CD38 (0.34) LRRK2CD38HTR6
SCHEMBL31662457 0.82 CD38 (0.34) LRRK2CD38HTR6
SCHEMBL31662171 0.81 TTK (0.36) TTKGSK3BDYRK1ACCNA2CDK2
SCHEMBL31661898 0.79 TTK (0.34) TTKGSK3BDYRK1ACCNA2CDK2
SCHEMBL31662578 0.79 CD38 (0.37) CD38

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