SCHEMBL29217578

SCHEMBL29217578

CC(C)c1c(=O)n(C)n2cnc3ccc(-c4ccc(N5CCC(N(C)C)CC5)c(C(F)(F)F)c4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 15/20 0.45
▸ ATM Q13315 4/20 0.45
▸ ATR Q13535 3/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ FECH P22830 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MELK Q14680 1/20 0.39
▸ MYLK3 Q32MK0 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ PIP4K2C Q8TBX8 1/20 0.39
▸ TP53RK Q96S44 1/20 0.39

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
SCHEMBL30012567 1.00 MTOR (0.45) MTORATMATRPIK3CATLR9
SCHEMBL30012314 0.90 ATM (0.48) MTORATMATRPIK3CATLR9
SCHEMBL29217588 0.90 ATM (0.48) MTORATMATRPIK3CATLR9
SCHEMBL30011984 0.89 ATM (0.45) MTORATMATRPIK3CATLR9
SCHEMBL29217613 0.89 ATM (0.45) MTORATMATRPIK3CATLR9
SCHEMBL30011050 0.85 MTOR (0.41) MTORATMATRPIK3CAPIK3CD
SCHEMBL30839669 0.77 TLR9 (0.37) MTORATMATRPIK3CATLR9
SCHEMBL30011901 0.76 ATM (0.44) MTORATMATRPIK3CATLR9
SCHEMBL29217574 0.76 ATM (0.44) MTORATMATRPIK3CATLR9
SCHEMBL30011461 0.75 ATM (0.42) MTORATMATRPIK3CAPIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026097-B Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2024-02-23 — — CN disclosed
CN-114026097-A Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2022-02-08 — — CN disclosed
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