SCHEMBL30253230

SCHEMBL30253230

O=C1COCCN1c1cnc(-c2cccnc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ MAP4K1 Q92918 4/20 0.44
▸ PTGS2 P35354 10/20 0.44
▸ MTOR P42345 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ NTRK1 P04629 1/20 0.42

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
SCHEMBL30253186 0.81 MTOR (0.48) PIK3CAPIK3CGMAP4K1MTORCYP11B2
SCHEMBL5740638 0.78 PTGS2 (0.48) PIK3CAPTGS2MTORCYP11B2
SCHEMBL28362833 0.72 F10 (0.53) PTGS2
SCHEMBL30253096 0.71 MAP4K1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K1
SCHEMBL29865430 0.69 PTGS2 (0.52) PIK3CAPTGS2MTOR
SCHEMBL8285973 0.69 PTGS2 (0.48) PTGS2MTOR
SCHEMBL2996200 0.69 PTGS2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPTGS2
SCHEMBL31333855 0.68 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMAP4K1
SCHEMBL2343226 0.67 F10 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPTGS2
SCHEMBL29462406 0.67 F10 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPTGS2

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-115715288-A TYK-2 inhibitors 百济神州有限公司 2023-02-24 — — CN disclosed
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