SCHEMBL23093838

SCHEMBL23093838

CNC1CCN(c2ccc(-c3ccc4ncc5c(C)nc(N6C[C@@H](C)O[C@@H](C)C6)n5c4c3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.39
▸ ATM Q13315 3/20 0.38
▸ ATR Q13535 3/20 0.38
▸ MTOR P42345 2/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ ATRIP Q8WXE1 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MELK Q14680 3/20 0.35
▸ SYK P43405 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL29688040 1.00 AOC3 (0.39) AOC3ATMATRMTORPIK3CB
SCHEMBL29688223 0.91 ATM (0.40) AOC3ATMATRMTORPIK3CB
SCHEMBL29688366 0.91 AOC3 (0.37) AOC3ATMATRMTORPIK3CB
SCHEMBL23093832 0.91 AOC3 (0.37) AOC3ATMATRMTORPIK3CB
SCHEMBL23093836 0.91 ATM (0.40) AOC3ATMATRMTORPIK3CB
SCHEMBL23093845 0.90 AOC3 (0.40) AOC3ATMATRMTORPIK3CB
SCHEMBL29688031 0.90 AOC3 (0.40) AOC3ATMATRMTORPIK3CB
SCHEMBL23119292 0.88 ATM (0.46) AOC3ATMATRMTORPIK3CB
SCHEMBL23119287 0.88 ATM (0.46) AOC3ATMATRMTORPIK3CB
SCHEMBL29688219 0.88 ATM (0.46) AOC3ATMATRMTORPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028400-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-07-20 — — EP claimed
WO-2021047646-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF IMPACT THERAPEUTICS, INC (CN) 2021-03-18 — — WO claimed
EP-4028400-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-07-20 — — EP disclosed
WO-2021047646-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF IMPACT THERAPEUTICS, INC (CN) 2021-03-18 — — WO disclosed
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