SCHEMBL30359507

SCHEMBL30359507

CN(C)CCCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 16/20 0.62
▸ ATM Q13315 12/20 0.62
▸ ATR Q13535 14/20 0.45
▸ ATRIP Q8WXE1 13/20 0.45
▸ PIK3CB P42338 13/20 0.45
▸ MTOR P42345 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL21541854 1.00 PRKDC (0.62) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541835 0.87 PRKDC (0.61) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541783 0.87 PRKDC (0.61) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541740 0.85 PRKDC (0.68) PRKDCATMATRATRIPPIK3CB
SCHEMBL29559426 0.85 PRKDC (0.59) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541751 0.85 PRKDC (0.59) PRKDCATMATRATRIPPIK3CB
SCHEMBL30359521 0.85 PRKDC (0.81) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541879 0.85 PRKDC (0.81) PRKDCATMATRATRIPPIK3CB
SCHEMBL20374454 0.84 PRKDC (0.73) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541764 0.82 ATM (0.43) PRKDCATMATRHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP claimed
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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