SCHEMBL29742730

SCHEMBL29742730

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.41
▸ CTSK P43235 3/20 0.41
▸ ATM Q13315 14/20 0.40
▸ PRKDC P78527 3/20 0.40
▸ MTOR P42345 10/20 0.36
▸ PIK3CA P42336 10/20 0.36
▸ ATR Q13535 3/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ ATRIP Q8WXE1 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ S1PR1 P21453 1/20 0.34

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
SCHEMBL23119289 0.90 ATM (0.42) ATMPRKDCMTORPIK3CAATR
SCHEMBL29688033 0.90 ATM (0.42) ATMPRKDCMTORPIK3CAATR
SCHEMBL29688251 0.88 ATM (0.42) ATMPRKDCMTORPIK3CAATR
SCHEMBL23119283 0.88 ATM (0.42) ATMPRKDCMTORPIK3CAATR
SCHEMBL21541840 0.87 PRKDC (0.49) CTSSCTSKATMPRKDCMTOR
SCHEMBL23119299 0.86 ATM (0.54) ATMPRKDCMTORPIK3CAATR
SCHEMBL23093830 0.86 ATM (0.54) ATMPRKDCMTORPIK3CAATR
SCHEMBL23119298 0.86 ATM (0.54) ATMPRKDCMTORPIK3CAATR
SCHEMBL30192398 0.85 PIK3CB (0.36) ATMPRKDCMTORATRPIK3CB
SCHEMBL23119186 0.82 ATM (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787162-A Substituted imidazoquinoxaline compounds and uses thereof 上海瑛派药业有限公司 2022-07-22 — — CN claimed
CN-119215050-A Application of substituted imidazoquinoxaline compound in preparation of anti-cancer drugs 上海瑛派药业有限公司 2024-12-31 — — CN disclosed
CN-119080781-A Substituted imidazoquinoxaline compounds and uses thereof 上海瑛派药业有限公司 2024-12-06 — — CN disclosed
CN-114787162-B Substituted imidazoquinoxaline compounds and uses thereof 上海瑛派药业有限公司 2024-09-03 — — CN disclosed
CN-114787162-A Substituted imidazoquinoxaline compounds and uses thereof 上海瑛派药业有限公司 2022-07-22 — — CN disclosed
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