SCHEMBL20006083

SCHEMBL20006083

CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)N([C@H]2CCOC2)CN4C)cn1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.64
▸ PIK3CA P42336 16/20 0.64
▸ MTOR P42345 16/20 0.64
▸ ATR Q13535 4/20 0.64
▸ PRKDC P78527 2/20 0.59
▸ PIK3CD O00329 1/20 0.59
▸ PIK3CB P42338 1/20 0.59
▸ PIK3CG P48736 1/20 0.59
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL19618853 1.00 ATM (0.64) ATMPIK3CAMTORATRPRKDC
SCHEMBL20006294 0.84 ATM (0.62) ATMPIK3CAMTORATRPRKDC
SCHEMBL17242588 0.78 ATM (1.00) ATMPIK3CAMTORATRPRKDC
SCHEMBL17246304 0.78 ATM (1.00) ATMPIK3CAMTORATRPRKDC
SCHEMBL17246341 0.78 ATM (1.00) ATMPIK3CAMTORATRPRKDC
SCHEMBL23615859 0.76 ATM (0.55) ATMPIK3CAMTORATRPRKDC
SCHEMBL24381740 0.76 ATM (0.68) ATMPIK3CAMTORATRPRKDC
SCHEMBL24381793 0.74 ATM (0.73) ATMPIK3CAMTORATRPRKDC
SCHEMBL17272550 0.74 ATM (0.91) ATMPIK3CAMTORATRPRKDC
SCHEMBL17272539 0.74 ATM (0.91) ATMPIK3CAMTORATRPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140303-B1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-03-28 — — EP disclosed
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