SCHEMBL29026222

SCHEMBL29026222

CNCCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2CCOC2)c(=O)n4C)cn1

nearest known ligand 0.91

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.91
▸ ATM Q13315 19/20 0.91
▸ PIK3CA P42336 17/20 0.91
▸ ATR Q13535 10/20 0.91
▸ KCNH2 Q12809 1/20 0.73
▸ PIK3CD O00329 1/20 0.73
▸ PIK3CB P42338 1/20 0.73
▸ PIK3CG P48736 1/20 0.73
▸ PRKDC P78527 1/20 0.73

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
SCHEMBL20006120 0.95 MTOR (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17246658 0.95 MTOR (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17272510 0.95 MTOR (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17246483 0.95 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17246304 0.89 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17246341 0.89 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17242588 0.89 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17272531 0.88 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17242634 0.88 ATM (1.00) MTORATMPIK3CAATRKCNH2
SCHEMBL17272494 0.88 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
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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