SCHEMBL18824834

SCHEMBL18824834

CN(C)CCOc1ccc(-c2ccc3nc(C4CCC4)c4c([nH]c(=O)n4C)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 7/20 0.46
▸ ATR Q13535 1/20 0.45
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ PDE3B Q13370 6/20 0.42
▸ PDE3A Q14432 6/20 0.42
▸ P2RY12 Q9H244 6/20 0.42
▸ PIK3CA P42336 2/20 0.41
▸ PDE2A O00408 4/20 0.41
▸ ACHE P22303 3/20 0.40
▸ TNKS O95271 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ MTOR P42345 1/20 0.38

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
SCHEMBL18824692 0.92 ATM (0.48) ATMATRADORA2AADORA1ADORA3
SCHEMBL18824583 0.91 ATM (0.54) ATMATRADORA2AADORA1ADORA3
SCHEMBL18824924 0.87 ATM (0.59) ATMATRPDE3BPDE3AP2RY12
SCHEMBL17241366 0.86 ATM (0.59) ATMATRPIK3CAMTOR
SCHEMBL18824690 0.83 ATM (0.52) ATMATRADORA2AADORA1ADORA3
SCHEMBL17241472 0.81 ATM (0.60) ATMATRPIK3CAMTOR
SCHEMBL18824763 0.81 ATM (0.47) ATMADORA2AADORA1ADORA3ADORA2B
SCHEMBL18824685 0.80 ATM (0.49) ATMATRPIK3CAMTOR
SCHEMBL18824923 0.80 ATM (0.47) ATMATRPIK3CAMTOR
SCHEMBL18824672 0.79 ATM (0.57) ATMATRADORA2AADORA1ADORA3

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-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
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