SCHEMBL17241779

SCHEMBL17241779

CN(C)CCCOc1ccc(-c2ccc3nc([C@@H]4CCCOC4)c4c([nH]c(=O)n4C)c3c2)c(F)n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.62
▸ MTOR P42345 17/20 0.62
▸ PIK3CA P42336 15/20 0.62
▸ KCNH2 Q12809 1/20 0.48
▸ ATR Q13535 1/20 0.44

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
SCHEMBL17241494 1.00 ATM (0.62) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241458 0.96 ATM (0.61) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241474 0.93 ATM (0.61) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241472 0.92 ATM (0.60) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241449 0.92 ATM (0.62) ATMMTORPIK3CAATR
SCHEMBL17241457 0.90 ATM (0.62) ATMMTORPIK3CAKCNH2
SCHEMBL17241726 0.89 ATM (0.61) ATMMTORPIK3CAKCNH2ATR
SCHEMBL18824924 0.87 ATM (0.59) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241437 0.86 ATM (0.63) ATMMTORPIK3CAKCNH2ATR
SCHEMBL17241453 0.86 ATM (0.63) ATMMTORPIK3CAKCNH2ATR

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-3140303-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2017-03-15 — — EP disclosed
WO-2015170081-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2015-11-12 — — WO disclosed
Send feedback