SCHEMBL18824923

SCHEMBL18824923

COC1CCCC(c2nc3ccc(-c4ccc(OCCCN5CCCC5)cc4)cc3c3[nH]c(=O)n(C)c23)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 11/20 0.47
▸ MTOR P42345 10/20 0.47
▸ PIK3CA P42336 6/20 0.47
▸ ATR Q13535 4/20 0.47
▸ KCNH2 Q12809 4/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ DHODH Q02127 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ HTR3A P46098 1/20 0.40

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
SCHEMBL18824714 0.94 ATM (0.51) ATMMTORPIK3CAATRKCNH2
SCHEMBL18824685 0.92 ATM (0.49) ATMMTORPIK3CAATRKCNH2
SCHEMBL17241465 0.82 ATM (0.60) ATMMTORPIK3CAATRKCNH2
SCHEMBL18824834 0.80 ATM (0.46) ATMMTORPIK3CAATR
SCHEMBL18824981 0.78 ATM (0.45) ATMMTORPIK3CAATRTLR9
SCHEMBL18824979 0.78 ATM (0.45) ATMMTORPIK3CAATRTLR9
Trifluoroacetic Acid SCHEMBL17241751 0.77 ATM (0.56) ATMMTORPIK3CAATRKCNH2
SCHEMBL17241387 0.76 ATM (0.61) ATMMTORPIK3CAATRKCNH2
SCHEMBL17241559 0.76 ATM (0.61) ATMMTORPIK3CAATRKCNH2
SCHEMBL20550299 0.75 ATM (0.77) ATMMTORPIK3CAATRKCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371183-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-09-12 — — EP claimed
WO-2017076895-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-05-11 — — WO claimed
EP-3371183-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-09-12 — — EP disclosed
WO-2017076895-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-05-11 — — WO disclosed
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