SCHEMBL29688375

SCHEMBL29688375

CCOc1c(C(C)C(=O)O)cc(Cl)c(C)c1-c1ccc(C)nc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.46
▸ PTGS2 P35354 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL20243474 1.00 PIK3CD (0.46) PIK3CDPTGS2ALDH1A1LMNAMAPT
SCHEMBL20246650 0.86 PIK3CD (0.45) PIK3CDALDH1A1LMNAMAPTTDP1
SCHEMBL29688362 0.86 PIK3CD (0.45) PIK3CDALDH1A1LMNAMAPTTDP1
SCHEMBL20243468 0.85 PIK3CD (0.43) PIK3CDALDH1A1LMNAMAPTTDP1
SCHEMBL29688618 0.85 PIK3CD (0.43) PIK3CDALDH1A1LMNAMAPTTDP1
SCHEMBL20255005 0.83 PTGS2 (0.43) PTGS2
SCHEMBL20254943 0.83 PIK3CD (0.44) PIK3CDALDH1A1LMNAMAPTTDP1
SCHEMBL23880075 0.82 PIK3CD (0.38) PIK3CDPTGS2
SCHEMBL20254967 0.81 PIK3CD (0.42) PIK3CD
SCHEMBL29688420 0.81 PIK3CD (0.42) PIK3CD

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
CN-110267959-B Imidazo [1,5-A ] pyrazine derivatives as PI3K delta inhibitors 百济神州有限公司 2022-05-27 — — CN disclosed
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