SCHEMBL23634686

SCHEMBL23634686

COc1cc2ncc3c(c2cc1-c1ccc(OCCCN2CC[C@@H](F)C2)nc1)n(N1CCOCC1)c(=O)n3C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 20/20 0.59
▸ MTOR P42345 12/20 0.55
▸ PIK3CA P42336 10/20 0.55
▸ KCNH2 Q12809 2/20 0.55
▸ ATR Q13535 4/20 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
SCHEMBL23634679 1.00 ATM (0.59) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634680 1.00 ATM (0.59) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634716 0.96 ATM (0.62) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634720 0.86 ATM (0.64) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634695 0.81 ATM (0.54) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634717 0.81 ATM (0.78) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634692 0.79 ATM (0.49) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634730 0.79 ATM (0.63) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634728 0.78 ATM (0.76) ATMMTORPIK3CAKCNH2ATR
SCHEMBL23634685 0.75 ATM (0.58) ATMMTORPIK3CAKCNH2ATR

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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