SCHEMBL19584960

SCHEMBL19584960

CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN5CCC(F)CC5)nc4)cc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 20/20 1.00
▸ ATR Q13535 5/20 1.00
▸ KCNH2 Q12809 1/20 0.68
▸ MTOR P42345 10/20 0.67
▸ PIK3CA P42336 6/20 0.65

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
SCHEMBL19605306 0.95 ATM (1.00) ATMATRKCNH2MTORPIK3CA
SCHEMBL19585082 0.95 ATM (1.00) ATMATRKCNH2MTORPIK3CA
SCHEMBL19585078 0.95 ATM (1.00) ATMATRKCNH2MTORPIK3CA
SCHEMBL18631935 0.92 ATM (0.97) ATMATRKCNH2MTORPIK3CA
SCHEMBL29565807 0.92 ATM (1.00) ATMATRKCNH2MTORPIK3CA
SCHEMBL18631949 0.92 ATM (1.00) ATMATRKCNH2MTORPIK3CA
SCHEMBL18632019 0.91 ATM (1.00) ATMATRKCNH2MTORPIK3CA
SCHEMBL20839042 0.88 ATM (0.78) ATMATRKCNH2MTORPIK3CA
SCHEMBL18631996 0.84 ATM (0.76) ATMATRKCNH2MTORPIK3CA
SCHEMBL18632002 0.84 ATM (0.79) ATMATRKCNH2MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017194632-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-11-16 — — WO claimed
WO-2017194632-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-11-16 — — WO disclosed
WO-2017194632-A1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-11-16 — — WO disclosed
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