SCHEMBL807975

SCHEMBL807975

CC(C)(N)c1ccc(-c2nnc3cnc4ccc(-c5cncnc5)cc4n23)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 20/20 0.44
PIK3CB P42338 19/20 0.44
ATR Q13535 19/20 0.44
ATRIP Q8WXE1 19/20 0.44
ATM Q13315 11/20 0.44
MTOR P42345 10/20 0.43
SERPINA2 P20848 7/20 0.43
CYP3A4 P08684 1/20 0.41

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
SCHEMBL15131797 0.86 PIK3CB (0.42) PRKDCPIK3CBATRATRIPATM
SCHEMBL807973 0.85 ATM (0.41) PRKDCPIK3CBATRATRIPATM
SCHEMBL807987 0.81 GSK3B (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL10070634 0.80 MAPT (0.41) PRKDCPIK3CBATRATRIPATM
SCHEMBL807837 0.80 PRKDC (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL807826 0.74 PI4KA (0.45) PIK3CB
SCHEMBL807839 0.73 PRKDC (0.43) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131796 0.73 MTOR (0.49) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131811 0.72 MTOR (0.38) PRKDCPIK3CBATRATRIPATM
SCHEMBL10885012 0.72 PRKDC (0.51) PRKDCPIK3CBATRATRIPATM

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-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed