SCHEMBL31662467

SCHEMBL31662467

COC(=O)c1cc(Oc2ccc(OCCOC3CCOCC3)cc2F)c2c(cnn2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.37
MAPK14 Q16539 7/20 0.36
MAPK1 P28482 4/20 0.36
GAK O14976 1/20 0.36
RPS6KA4 O75676 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1D P48730 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MAPK10 P53779 1/20 0.36
DDR1 Q08345 1/20 0.36
MAPK11 Q15759 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
COQ8A Q8NI60 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
STK36 Q9NRP7 1/20 0.36
NLK Q9UBE8 1/20 0.36
PDE4D Q08499 1/20 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
SCHEMBL31662508 0.91 CD38 (0.37) CD38MAPK14MAPK1GAKRPS6KA4
SCHEMBL31661947 0.91 SCN9A (0.36) CD38MAPK14MAPK1GAKRPS6KA4
SCHEMBL31662620 0.90 CD38 (0.40) CD38MAPK14PDE4DHRH3HPGDS
SCHEMBL31661963 0.87 SCN9A (0.36) MAPK14MAPK1GAKRPS6KA4PRKD3
SCHEMBL31662015 0.87 SCN9A (0.36) MAPK14MAPK1GAKRPS6KA4PRKD3
SCHEMBL31662522 0.87 SCN9A (0.36) MAPK14MAPK1GAKRPS6KA4PRKD3
SCHEMBL31662160 0.85 SCN9A (0.36) CD38PDE4DSCN9A
SCHEMBL31662228 0.82 SCN9A (0.39) CD38MAPK8SCN9A
SCHEMBL31662578 0.81 CD38 (0.37) CD38MAPK14PDE4DHRH3SCN9A
SCHEMBL31662235 0.81 CD38 (0.39) CD38MAPK14PDE4DHRH3SCN9A

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