SCHEMBL23634720

SCHEMBL23634720

COc1cc2ncc3c(c2cc1-c1ccc(OCCCN(C)C)nc1)n(N1CCOCC1)c(=O)n3C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.64
▸ MTOR P42345 14/20 0.64
▸ PIK3CA P42336 14/20 0.64
▸ ATR Q13535 3/20 0.60
▸ PIK3CD O00329 1/20 0.60
▸ PIK3CB P42338 1/20 0.60
▸ PIK3CG P48736 1/20 0.60
▸ PRKDC P78527 1/20 0.60
▸ KCNH2 Q12809 1/20 0.55

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
SCHEMBL23634728 0.90 ATM (0.76) ATMMTORPIK3CAATRPIK3CD
SCHEMBL23634730 0.90 ATM (0.63) ATMMTORPIK3CAATRPIK3CD
SCHEMBL23634716 0.87 ATM (0.62) ATMMTORPIK3CAATRKCNH2
SCHEMBL23634678 0.87 ATM (0.74) ATMMTORPIK3CAATRPIK3CD
SCHEMBL23634692 0.87 ATM (0.49) ATMMTORPIK3CAATRPIK3CD
SCHEMBL23634679 0.86 ATM (0.59) ATMMTORPIK3CAATRKCNH2
SCHEMBL23634680 0.86 ATM (0.59) ATMMTORPIK3CAATRKCNH2
SCHEMBL23634686 0.86 ATM (0.59) ATMMTORPIK3CAATRKCNH2
SCHEMBL23634705 0.85 ATM (0.63) ATMMTORPIK3CAATRPIK3CD
SCHEMBL23634696 0.83 ATM (0.45) ATMMTORPIK3CAATRPIK3CD

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
Send feedback