SCHEMBL28793970

SCHEMBL28793970

Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)n2c1cnc1ccc(-c3ccc(OCCC(C)N)nc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 17/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ MTOR P42345 7/20 0.38
▸ ATR Q13535 5/20 0.38
▸ PIK3CB P42338 3/20 0.38
▸ ATRIP Q8WXE1 1/20 0.38
▸ PIK3CA P42336 7/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PI4KA P42356 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL29742725 1.00 ATM (0.39) ATMPRKDCMTORATRPIK3CB
SCHEMBL29688283 0.90 ATM (0.42) ATMPRKDCMTORATRPIK3CB
SCHEMBL23093827 0.90 ATM (0.42) ATMPRKDCMTORATRPIK3CB
SCHEMBL29688027 0.87 ATM (0.48) ATMPRKDCMTORATRPIK3CB
SCHEMBL23119186 0.87 ATM (0.49) ATMPRKDCMTORATRPIK3CB
SCHEMBL23093840 0.87 ATM (0.48) ATMPRKDCMTORATRPIK3CB
SCHEMBL23119299 0.87 ATM (0.54) ATMPRKDCMTORATRPIK3CB
SCHEMBL23093830 0.87 ATM (0.54) ATMPRKDCMTORATRPIK3CB
SCHEMBL23119298 0.87 ATM (0.54) ATMPRKDCMTORATRPIK3CB
SCHEMBL23093862 0.86 ATM (0.41) ATMPRKDCMTORATRPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787162-A Substituted imidazoquinoxaline compounds and uses thereof 上海瑛派药业有限公司 2022-07-22 — — CN claimed
CN-114787162-A Substituted imidazoquinoxaline compounds and uses thereof 上海瑛派药业有限公司 2022-07-22 — — CN disclosed
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