SCHEMBL20006503

SCHEMBL20006503

C=C(CCCCCCC)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCCOC2)c(=O)n4C)cn1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.75
▸ ATM Q13315 19/20 0.75
▸ PIK3CA P42336 15/20 0.75
▸ ATR Q13535 7/20 0.75
▸ KCNH2 Q12809 1/20 0.75

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
SCHEMBL20006507 0.92 ATM (0.84) MTORATMPIK3CAATRKCNH2
SCHEMBL17272510 0.86 MTOR (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17246658 0.86 MTOR (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17242486 0.86 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17245494 0.86 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17242644 0.86 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL20006120 0.86 MTOR (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL20006498 0.86 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17241780 0.86 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17246359 0.86 ATM (1.00) MTORATMPIK3CAATRKCNH2

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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