SCHEMBL18824831

SCHEMBL18824831

CO[C@H]1CC[C@@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(OCCCN(C)C)cc5)cc4c32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 1.00
▸ ATR Q13535 5/20 1.00
▸ MTOR P42345 12/20 0.83
▸ PIK3CA P42336 11/20 0.83
▸ PIK3CD O00329 1/20 0.62
▸ PIK3CB P42338 1/20 0.62
▸ PIK3CG P48736 1/20 0.62
▸ PRKDC P78527 1/20 0.62

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
SCHEMBL18824891 1.00 ATM (1.00) ATMATRMTORPIK3CAPIK3CD
SCHEMBL20550138 1.00 ATM (1.00) ATMATRMTORPIK3CAPIK3CD
SCHEMBL18844676 1.00 ATM (1.00) ATMATRMTORPIK3CAPIK3CD
SCHEMBL18824833 1.00 ATM (1.00) ATMATRMTORPIK3CAPIK3CD
SCHEMBL18844636 0.96 ATM (0.92) ATMATRMTORPIK3CA
SCHEMBL18824921 0.95 ATM (0.91) ATMATRMTORPIK3CA
SCHEMBL18824925 0.95 ATM (0.91) ATMATRMTORPIK3CA
SCHEMBL18824922 0.95 ATM (0.91) ATMATRMTORPIK3CA
SCHEMBL18844682 0.95 ATM (0.91) ATMATRMTORPIK3CA
SCHEMBL20550164 0.95 ATM (0.91) ATMATRMTORPIK3CAPIK3CD

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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