SCHEMBL30516408

SCHEMBL30516408

CC1COCCN1c1ccnc(N2CCOCC2C)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ ATR Q13535 14/20 0.51
▸ ATRIP Q8WXE1 12/20 0.48
▸ PIK3C3 Q8NEB9 4/20 0.47
▸ PDCD1 Q15116 6/20 0.47
▸ CD274 Q9NZQ7 6/20 0.47
▸ CHEK1 O14757 5/20 0.47
▸ MTOR P42345 1/20 0.46

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
SCHEMBL30386045 0.91 PIK3C3 (0.46) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL30386169 0.91 PIK3C3 (0.46) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL24453719 0.85 PIK3CD (0.52) PIK3CDPIK3CAATRATRIPPDCD1
SCHEMBL30288871 0.80 PIK3C3 (0.52) PIK3CAATRATRIPPIK3C3PDCD1
SCHEMBL28539901 0.79 ATR (0.55) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL2127456 0.79 ATR (0.55) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL28539899 0.79 ATR (0.55) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL29442179 0.79 ATR (0.55) PIK3CDPIK3CAATRATRIPPIK3C3
SCHEMBL29261326 0.77 PIK3CA (0.51) PIK3CDPIK3CAATRATRIPPDCD1
SCHEMBL30629341 0.77 PIK3CD (0.58) PIK3CDPIK3CAATRATRIPPDCD1

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-116375712-A Dimorpholine-substituted heterocyclic compound and medical application thereof 上海辉启生物医药科技有限公司 2023-07-04 — — CN disclosed
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