SCHEMBL29026194

SCHEMBL29026194

Cn1c(=O)n(C2COC2)c2c3cc(-c4ccc(OCCCN5CCCC5)nc4)ccc3ncc21

nearest known ligand 0.98

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.98
▸ ATM Q13315 19/20 0.98
▸ PIK3CA P42336 14/20 0.87
▸ ATR Q13535 4/20 0.87
▸ KCNH2 Q12809 1/20 0.79

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
SCHEMBL17272560 0.99 MTOR (1.00) MTORATMPIK3CAATRKCNH2
Trifluoroacetic Acid SCHEMBL17272524 0.93 MTOR (0.89) MTORATMPIK3CAATRKCNH2
SCHEMBL17272483 0.93 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17272494 0.93 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17272531 0.93 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17242644 0.93 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17242634 0.93 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17272507 0.92 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17242594 0.92 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17242505 0.92 ATM (1.00) MTORATMPIK3CAATR

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
CN-116194109-A Combination of antibody-drug conjugate and ATM inhibitor 阿斯利康(英国)有限公司 2023-05-30 — — CN disclosed
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