SCHEMBL30359505

SCHEMBL30359505

CN(C)CCCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 15/20 1.00
▸ ATM Q13315 14/20 1.00
▸ ATR Q13535 14/20 0.60
▸ PIK3CB P42338 13/20 0.60
▸ ATRIP Q8WXE1 12/20 0.60
▸ MTOR P42345 7/20 0.56
▸ PIK3CA P42336 4/20 0.55
▸ PIK3CD O00329 1/20 0.55
▸ PIK3CG P48736 1/20 0.55

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
SCHEMBL20374463 1.00 PRKDC (1.00) PRKDCATMATRPIK3CBATRIP
SCHEMBL30359514 0.90 PRKDC (0.82) PRKDCATMATRPIK3CBATRIP
SCHEMBL20374540 0.90 PRKDC (0.82) PRKDCATMATRPIK3CBATRIP
SCHEMBL21541855 0.90 PRKDC (0.82) PRKDCATMATRPIK3CBATRIP
SCHEMBL21541872 0.90 PRKDC (0.81) PRKDCATMATRPIK3CBATRIP
SCHEMBL21541879 0.89 PRKDC (0.81) PRKDCATMATRPIK3CBATRIP
SCHEMBL30359521 0.89 PRKDC (0.81) PRKDCATMATRPIK3CBATRIP
SCHEMBL21541772 0.87 PRKDC (0.77) PRKDCATMATRPIK3CBATRIP
SCHEMBL23093866 0.86 ATM (0.76) PRKDCATMATRPIK3CBATRIP
SCHEMBL21541760 0.85 PRKDC (0.73) PRKDCATMATRPIK3CBATRIP

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
CN-110167941-B Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2023-04-04 — — CN disclosed
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