SCHEMBL23119289

SCHEMBL23119289

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.42
▸ PRKDC P78527 3/20 0.42
▸ MTOR P42345 13/20 0.37
▸ PIK3CA P42336 13/20 0.37
▸ ATR Q13535 3/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CG P48736 1/20 0.36

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
SCHEMBL29688033 1.00 ATM (0.42) ATMPRKDCMTORPIK3CAATR
SCHEMBL23119283 0.90 ATM (0.42) ATMPRKDCMTORPIK3CAATR
SCHEMBL29688251 0.90 ATM (0.42) ATMPRKDCMTORPIK3CAATR
SCHEMBL29742730 0.90 CTSS (0.41) ATMPRKDCMTORPIK3CAATR
SCHEMBL23119299 0.89 ATM (0.54) ATMPRKDCMTORPIK3CAATR
SCHEMBL23119298 0.89 ATM (0.54) ATMPRKDCMTORPIK3CAATR
SCHEMBL23093830 0.89 ATM (0.54) ATMPRKDCMTORPIK3CAATR
SCHEMBL21541786 0.86 ATM (0.51) ATMPRKDCMTORPIK3CAATR
SCHEMBL23119186 0.84 ATM (0.49) ATMPRKDCMTORPIK3CAATR
SCHEMBL30192387 0.82 ATM (0.39) ATMPRKDCMTORPIK3CAATR

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
Send feedback