SCHEMBL23119196

SCHEMBL23119196

Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)n2c1cnc1ccc(-c3ccc(N4CCC(N(C)C)CC4)c(Cl)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ MELK Q14680 9/20 0.34
▸ MCHR1 Q99705 2/20 0.33
▸ WEE1 P30291 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL29687878 1.00 ATM (0.38) ATMATRMTORPIK3CBPRKDC
SCHEMBL29688063 0.91 ATM (0.39) ATMATRMTORPIK3CBPRKDC
SCHEMBL23119185 0.91 ATM (0.39) ATMATRMTORPIK3CBPRKDC
SCHEMBL23119292 0.87 ATM (0.46) ATMATRMTORPIK3CBPRKDC
SCHEMBL29688219 0.87 ATM (0.46) ATMATRMTORPIK3CBPRKDC
SCHEMBL23119287 0.87 ATM (0.46) ATMATRMTORPIK3CBPRKDC
SCHEMBL21541877 0.86 PRKDC (0.40) ATMATRMTORPIK3CBPRKDC
SCHEMBL23093844 0.82 ATM (0.39) ATMATRMTORPIK3CBPRKDC
SCHEMBL23093843 0.81 PRKDC (0.58) ATMATRMTORPIK3CBPRKDC
SCHEMBL23093851 0.80 PIK3CB (0.41) ATMATRMTORPIK3CBPRKDC

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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