SCHEMBL29359142

SCHEMBL29359142

C[C@@H](O)COc1cccc(N2CCO[C@@H](C)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 7/20 0.42
▸ NR3C2 P08235 1/20 0.40
▸ LRRK2 Q5S007 6/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ ACACB O00763 2/20 0.40
▸ ATR Q13535 2/20 0.38

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
SCHEMBL30291553 0.83 GAA (0.43) PIK3CAPIK3CBACACBATR
SCHEMBL30291447 0.83 GAA (0.43) PIK3CAPIK3CBACACBATR
SCHEMBL22468369 0.82 ATR (0.39) NR3C2LRRK2PIK3CAPIK3CBACACB
SCHEMBL22488432 0.82 ATR (0.39) NR3C2LRRK2PIK3CAPIK3CBACACB
SCHEMBL22468367 0.82 ATR (0.39) NR3C2LRRK2PIK3CAPIK3CBACACB
SCHEMBL28693923 0.82 ATR (0.39) NR3C2LRRK2PIK3CAPIK3CBACACB
SCHEMBL28693920 0.82 ATR (0.39) NR3C2LRRK2PIK3CAPIK3CBACACB
SCHEMBL2131669 0.73 HTR3E (0.51) KIF18ANR3C2PIK3CAPIK3CB
SCHEMBL22121194 0.72 NR3C2 (0.48) KIF18ANR3C2LRRK2PIK3CAPIK3CB
SCHEMBL31696843 0.72 NR3C2 (0.48) KIF18ANR3C2LRRK2PIK3CAPIK3CB

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
Send feedback