SCHEMBL18824714

SCHEMBL18824714

COC1CC(c2nc3ccc(-c4ccc(OCCCN5CCCC5)cc4)cc3c3[nH]c(=O)n(C)c23)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 7/20 0.51
▸ MTOR P42345 6/20 0.51
▸ PIK3CA P42336 5/20 0.51
▸ ATR Q13535 4/20 0.51
▸ KCNH2 Q12809 5/20 0.48
▸ HRH3 Q9Y5N1 4/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ DHODH Q02127 1/20 0.43
▸ HTR3A P46098 3/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL18824923 0.94 ATM (0.47) ATMMTORPIK3CAATRKCNH2
SCHEMBL18824685 0.93 ATM (0.49) ATMMTORPIK3CAATRKCNH2
SCHEMBL17241465 0.80 ATM (0.60) ATMMTORPIK3CAATRKCNH2
SCHEMBL17241387 0.79 ATM (0.61) ATMMTORPIK3CAATRKCNH2
SCHEMBL18824834 0.77 ATM (0.46) ATMMTORPIK3CAATRGPR119
SCHEMBL17241559 0.76 ATM (0.61) ATMMTORPIK3CAATRKCNH2
Trifluoroacetic Acid SCHEMBL17241751 0.75 ATM (0.56) ATMMTORPIK3CAATRKCNH2
SCHEMBL18824656 0.75 ATM (0.38) ATMMTORPIK3CAATRKCNH2
SCHEMBL20550140 0.75 ATM (0.82) ATMMTORPIK3CAATRKCNH2
SCHEMBL20550139 0.75 ATM (0.82) 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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