SCHEMBL30689456

SCHEMBL30689456

CN(C)CCCNc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 20/20 0.70
▸ ATM Q13315 10/20 0.70
▸ ATR Q13535 15/20 0.64
▸ ATRIP Q8WXE1 15/20 0.64
▸ PIK3CB P42338 16/20 0.60
▸ MTOR P42345 5/20 0.57
▸ SERPINA2 P20848 1/20 0.46

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
SCHEMBL21541856 1.00 PRKDC (0.70) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541798 0.88 PRKDC (0.64) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541879 0.86 PRKDC (0.81) PRKDCATMATRATRIPPIK3CB
SCHEMBL30359521 0.86 PRKDC (0.81) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541822 0.86 PRKDC (0.72) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541855 0.83 PRKDC (0.82) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541760 0.83 PRKDC (0.73) PRKDCATMATRATRIPPIK3CB
SCHEMBL30359505 0.82 PRKDC (1.00) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541772 0.81 PRKDC (0.77) PRKDCATMATRATRIPPIK3CB
SCHEMBL21541758 0.80 PRKDC (0.64) PRKDCATMATRATRIPPIK3CB

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