SCHEMBL23119283

SCHEMBL23119283

Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)n2c1cnc1ccc(-c3ccc(OCCCN(C)C)c(Cl)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 17/20 0.42
▸ PRKDC P78527 3/20 0.42
▸ PIK3CA P42336 12/20 0.37
▸ MTOR P42345 12/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ ATR Q13535 5/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ ATRIP Q8WXE1 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL29688251 1.00 ATM (0.42) ATMPRKDCPIK3CAMTORHRH4
SCHEMBL29688033 0.90 ATM (0.42) ATMPRKDCPIK3CAMTORATR
SCHEMBL23119289 0.90 ATM (0.42) ATMPRKDCPIK3CAMTORATR
SCHEMBL23119298 0.89 ATM (0.54) ATMPRKDCPIK3CAMTORATR
SCHEMBL23093830 0.89 ATM (0.54) ATMPRKDCPIK3CAMTORATR
SCHEMBL23119299 0.89 ATM (0.54) ATMPRKDCPIK3CAMTORATR
SCHEMBL29742730 0.88 CTSS (0.41) ATMPRKDCPIK3CAMTORATR
SCHEMBL21541780 0.86 ATM (0.51) ATMPRKDCPIK3CAMTORHRH4
SCHEMBL23119186 0.84 ATM (0.49) ATMPRKDCPIK3CAMTORATR
SCHEMBL30192387 0.82 ATM (0.39) ATMPRKDCPIK3CAMTORATR

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
WO-2021047646-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF IMPACT THERAPEUTICS, INC (CN) 2021-03-18 — — WO disclosed
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