SCHEMBL23119185

SCHEMBL23119185

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 4/20 0.39
▸ ATR Q13535 3/20 0.39
▸ MTOR P42345 2/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ ATRIP Q8WXE1 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ CSF1R P07333 6/20 0.38
▸ CDK4 P11802 6/20 0.38
▸ CDK6 Q00534 6/20 0.38
▸ PIK3CD O00329 5/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CCNH P51946 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ PDE3B Q13370 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
SCHEMBL29688063 1.00 ATM (0.39) ATMATRMTORPIK3CBPRKDC
SCHEMBL29687878 0.91 ATM (0.38) ATMATRMTORPIK3CBPRKDC
SCHEMBL23119196 0.91 ATM (0.38) ATMATRMTORPIK3CBPRKDC
SCHEMBL23119292 0.87 ATM (0.46) ATMATRMTORPIK3CBPRKDC
SCHEMBL29688219 0.87 ATM (0.46) ATMATRMTORPIK3CBPRKDC
SCHEMBL23119287 0.87 ATM (0.46) ATMATRMTORPIK3CBPRKDC
SCHEMBL21541850 0.86 PRKDC (0.40) ATMATRMTORPIK3CBPRKDC
SCHEMBL23093831 0.82 ATM (0.42) ATMATRMTORPIK3CBPRKDC
SCHEMBL23093828 0.81 PRKDC (0.59) ATMATRMTORPIK3CBPRKDC
SCHEMBL23093867 0.79 PRKDC (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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