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SCHEMBL20006498

SCHEMBL20006498

CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCCOC2)c(=O)n4C)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 1.00
▸ MTOR P42345 18/20 1.00
▸ PIK3CA P42336 17/20 1.00
▸ KCNH2 Q12809 1/20 1.00
▸ ATR Q13535 5/20 0.91
▸ PIK3CD O00329 1/20 0.83
▸ PIK3CB P42338 1/20 0.83
▸ PIK3CG P48736 1/20 0.83
▸ PRKDC P78527 1/20 0.83

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
SCHEMBL17246359 1.00 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241780 1.00 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17246341 0.95 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17242588 0.95 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17246304 0.95 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241421 0.92 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL20006507 0.92 ATM (0.84) ATMMTORPIK3CAKCNH2ATR
SCHEMBL20006457 0.91 ATM (0.97) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17272541 0.91 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17272550 0.91 ATM (0.91) 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
EP-3140303-B1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-03-28 — — EP disclosed
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