SCHEMBL31064048

SCHEMBL31064048

CCC(Oc1ccc(-c2ccc3ncc4c(C)nc(N5C[C@@H](C)O[C@H](C)C5)n4c3c2)cn1)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 13/20 0.37
▸ MTOR P42345 6/20 0.37
▸ PRKDC P78527 3/20 0.37
▸ PIK3CB P42338 3/20 0.37
▸ ATR Q13535 3/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37
▸ AOC3 Q16853 2/20 0.34
▸ PIK3CA P42336 7/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL30192398 0.85 PIK3CB (0.36) ATMMTORPRKDCPIK3CBATR
SCHEMBL23119186 0.84 ATM (0.49) ATMMTORPRKDCPIK3CBATR
SCHEMBL23119298 0.84 ATM (0.54) ATMMTORPRKDCPIK3CBATR
SCHEMBL23093830 0.84 ATM (0.54) ATMMTORPRKDCPIK3CBATR
SCHEMBL23119299 0.84 ATM (0.54) ATMMTORPRKDCPIK3CBATR
SCHEMBL29687994 0.83 ATM (0.46) ATMMTORPRKDCPIK3CBATR
SCHEMBL23093835 0.83 ATM (0.46) ATMMTORPRKDCPIK3CBATR
SCHEMBL29688245 0.82 ATM (0.45) ATMMTORPRKDCPIK3CBATR
SCHEMBL28793970 0.82 ATM (0.39) ATMMTORPRKDCPIK3CBATR
SCHEMBL29742725 0.82 ATM (0.39) ATMMTORPRKDCPIK3CBATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119215050-A Application of substituted imidazoquinoxaline compound in preparation of anti-cancer drugs 上海瑛派药业有限公司 2024-12-31 — — CN disclosed
CN-119080781-A Substituted imidazoquinoxaline compounds and uses thereof 上海瑛派药业有限公司 2024-12-06 — — CN disclosed
CN-114787162-B Substituted imidazoquinoxaline compounds and uses thereof 上海瑛派药业有限公司 2024-09-03 — — CN disclosed
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