SCHEMBL31661978

SCHEMBL31661978

Cn1cnnc1-c1cc(Oc2ccc(OCCOC3CCOCC3)cc2F)c2c(cnn2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 11/20 0.35
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPK14 Q16539 5/20 0.32
GAK O14976 1/20 0.32
RPS6KA4 O75676 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1D P48730 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MAPK10 P53779 1/20 0.32
DDR1 Q08345 1/20 0.32
MAPK11 Q15759 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
COQ8A Q8NI60 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
STK36 Q9NRP7 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
SCHEMBL31661923 0.90 TTK (0.38) TTKGSK3BDYRK1ACCNA2CDK2
SCHEMBL31662028 0.88 MAPK14 (0.32) MAPK14GAKRPS6KA4PRKD3MAP4K4
SCHEMBL31661954 0.83 TTK (0.32) TTKLRRK2CD38
SCHEMBL31661962 0.82 TTK (0.35) TTKLRRK2CD38
SCHEMBL31661947 0.80 SCN9A (0.36) MAPK14GAKRPS6KA4PRKD3MAP4K4
SCHEMBL31662467 0.80 CD38 (0.37) TTKMAPK14GAKRPS6KA4PRKD3
SCHEMBL31662508 0.79 CD38 (0.37) TTKMAPK14GAKRPS6KA4PRKD3
SCHEMBL31662202 0.78 GSK3B (0.36) TTKGSK3BDYRK1AMAPK14LRRK2
SCHEMBL31661963 0.76 SCN9A (0.36) MAPK14GAKRPS6KA4PRKD3MAP4K4
SCHEMBL31662015 0.76 SCN9A (0.36) MAPK14GAKRPS6KA4PRKD3MAP4K4

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