SCHEMBL20006433

SCHEMBL20006433

CN(C)CCCOc1ccc(-c2cc3c(cc2F)ncc2c3n(C3CCCOC3)c(=O)n2C)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 1.00
▸ MTOR P42345 13/20 1.00
▸ PIK3CA P42336 10/20 1.00
▸ KCNH2 Q12809 2/20 0.81
▸ ATR Q13535 1/20 0.73

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
SCHEMBL17241603 1.00 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17246310 1.00 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17246346 0.93 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL20006511 0.92 ATM (0.85) ATMMTORPIK3CAKCNH2ATR
SCHEMBL18824828 0.91 ATM (0.84) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241482 0.91 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17242591 0.90 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17272523 0.90 ATM (1.00) ATMMTORPIK3CAKCNH2ATR
SCHEMBL20006277 0.90 ATM (1.00) ATMMTORPIK3CAKCNH2
SCHEMBL17245578 0.90 ATM (1.00) ATMMTORPIK3CAKCNH2

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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