SCHEMBL23093867

SCHEMBL23093867

Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)n2c1cnc1ccc(-c3cc[c]c(F)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 5/20 0.41
▸ ATR Q13535 5/20 0.41
▸ ATRIP Q8WXE1 5/20 0.41
▸ PIK3CB P42338 4/20 0.41
▸ ATM Q13315 4/20 0.41
▸ MTOR P42345 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.34
▸ GAK O14976 3/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL23093851 0.89 PIK3CB (0.41) PRKDCATRATRIPPIK3CBATM
SCHEMBL23119185 0.79 ATM (0.39) PRKDCATRATRIPPIK3CBATM
SCHEMBL29688063 0.79 ATM (0.39) PRKDCATRATRIPPIK3CBATM
SCHEMBL23119175 0.79 ATM (0.39) PRKDCATRATRIPPIK3CBATM
SCHEMBL29688031 0.78 AOC3 (0.40) PRKDCATRATRIPPIK3CBATM
SCHEMBL23093845 0.78 AOC3 (0.40) PRKDCATRATRIPPIK3CBATM
SCHEMBL23093838 0.77 AOC3 (0.39) PRKDCATRATRIPPIK3CBATM
SCHEMBL23119292 0.77 ATM (0.46) PRKDCATRATRIPPIK3CBATM
SCHEMBL23119287 0.77 ATM (0.46) PRKDCATRATRIPPIK3CBATM
SCHEMBL29688040 0.77 AOC3 (0.39) PRKDCATRATRIPPIK3CBATM

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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