SCHEMBL18824743

SCHEMBL18824743

CO[C@H]1CC[C@H](c2nc3ccc(-c4ccc(N5CCC(N(C)C)CC5)nc4)cc3c3[nH]c(=O)n(C)c23)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 9/20 0.46
▸ ATR Q13535 7/20 0.46
▸ MTOR P42345 5/20 0.46
▸ PIK3CA P42336 4/20 0.46
▸ TLR9 Q9NR96 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ MCHR1 Q99705 4/20 0.38
▸ DGAT1 O75907 4/20 0.37
▸ ADORA2A P29274 3/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ MELK Q14680 1/20 0.36

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
SCHEMBL18824740 1.00 ATM (0.46) ATMATRMTORPIK3CATLR9
SCHEMBL18824981 0.96 ATM (0.45) ATMATRMTORPIK3CATLR9
SCHEMBL18824979 0.96 ATM (0.45) ATMATRMTORPIK3CATLR9
SCHEMBL18824749 0.89 ATM (0.50) ATMATRMTORPIK3CATLR9
SCHEMBL18824950 0.86 ATM (0.48) ATMATRMTORPIK3CATLR9
SCHEMBL18824656 0.85 ATM (0.38) ATMATRMTORPIK3CADGAT1
SCHEMBL18824989 0.77 ATM (0.61) ATMATRMTORPIK3CATLR9
SCHEMBL18843776 0.75 ATM (0.68) ATMATRMTORPIK3CAKCNH2
SCHEMBL20515203 0.75 ATM (0.68) ATMATRMTORPIK3CAKCNH2
SCHEMBL18824978 0.74 PARP1 (0.38) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3370722-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-09-12 — — EP claimed
WO-2017076898-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-05-11 — — WO claimed
Send feedback