SCHEMBL23634678

SCHEMBL23634678

CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(N2CCOCC2)c(=O)n4C)cn1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.74
▸ PIK3CA P42336 16/20 0.74
▸ MTOR P42345 15/20 0.74
▸ ATR Q13535 5/20 0.74
▸ PIK3CD O00329 1/20 0.74
▸ PIK3CB P42338 1/20 0.74
▸ PIK3CG P48736 1/20 0.74
▸ PRKDC P78527 1/20 0.74
▸ KCNH2 Q12809 1/20 0.68

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
SCHEMBL23634682 0.89 ATM (0.66) ATMPIK3CAMTORATRPIK3CD
SCHEMBL23634681 0.89 PIK3CA (0.73) ATMPIK3CAMTORATRPIK3CD
SCHEMBL23634728 0.88 ATM (0.76) ATMPIK3CAMTORATRPIK3CD
SCHEMBL23634683 0.88 ATM (0.60) ATMPIK3CAMTORATRPIK3CD
SCHEMBL23634726 0.88 ATM (0.60) ATMPIK3CAMTORATRPIK3CD
SCHEMBL23634720 0.87 ATM (0.64) ATMPIK3CAMTORATRPIK3CD
SCHEMBL17246146 0.85 ATM (1.00) ATMPIK3CAMTORATRPIK3CD
SCHEMBL30410610 0.85 ATM (1.00) ATMPIK3CAMTORATRPIK3CD
SCHEMBL17246361 0.85 ATM (1.00) ATMPIK3CAMTORATRPIK3CD
SCHEMBL29355614 0.85 ATM (1.00) ATMPIK3CAMTORATRPIK3CD

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
WO-2021139814-A1 QUINOLINE IMIDAZOLE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-07-15 — — WO disclosed
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