SCHEMBL29356853

SCHEMBL29356853

CC(C)(CO)Oc1cccc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ KIF18A Q8NI77 3/20 0.43
▸ CYP2C19 P33261 1/20 0.39
▸ PDE10A Q9Y233 4/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AR P10275 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL13706046 0.77 CYP2C19 (0.58) GAACYP2C19PDE10APIK3CBHTT
SCHEMBL29355937 0.77 PIK3CA (0.46) GAACYP2C19PDE10APIK3CAPIK3CD
SCHEMBL30291577 0.74 GAA (0.41) GAACYP2C19PDE10APIK3CAPIK3CD
SCHEMBL30291447 0.74 GAA (0.43) GAACYP2C19PDE10APIK3CAPIK3CD
SCHEMBL30291553 0.74 GAA (0.43) GAACYP2C19PDE10APIK3CAPIK3CD
SCHEMBL30291693 0.73 PIK3CD (0.49) GAACYP2C19PDE10APIK3CAPIK3CD
SCHEMBL30291479 0.73 PIK3CD (0.49) GAACYP2C19PDE10APIK3CAPIK3CD
SCHEMBL6843345 0.73 GAA (0.59) GAAPDE10APIK3CAPIK3CDLMNA
SCHEMBL16834405 0.72 GAA (0.50) GAAPIK3CAPIK3CDPIK3CBLMNA
SCHEMBL1515189 0.72 HTR3E (0.66) GAAPIK3CBKMT2AHTTKDM4E

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
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 — — EP disclosed
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