SCHEMBL807839

SCHEMBL807839

Cc1cc(-c2ccc3ncc4nnc(-c5ccc(C(C)(C)N)nc5)n4c3c2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 16/20 0.43
PIK3CB P42338 14/20 0.43
ATR Q13535 14/20 0.43
ATRIP Q8WXE1 14/20 0.43
MAP4K4 O95819 1/20 0.40
ATM Q13315 8/20 0.39
MTOR P42345 8/20 0.38
SERPINA2 P20848 6/20 0.38
CYP3A4 P08684 1/20 0.37
PIK3CA P42336 1/20 0.37
GRIN2B Q13224 2/20 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
SCHEMBL807838 0.88 PIK3CA (0.44) PRKDCPIK3CBATRATRIPMAP4K4
SCHEMBL15131801 0.88 PIK3CB (0.41) PRKDCPIK3CBATRATRIPMAP4K4
SCHEMBL17243667 0.87 PRKDC (0.48) PRKDCPIK3CBATRATRIPMAP4K4
SCHEMBL15131806 0.86 PIK3CB (0.47) PRKDCPIK3CBATRATRIPMAP4K4
SCHEMBL15131807 0.84 PRKDC (0.52) PRKDCPIK3CBATRATRIPMAP4K4
SCHEMBL807817 0.83 PI4KA (0.52) PIK3CBPIK3CA
SCHEMBL15131808 0.82 PRKDC (0.44) PRKDCPIK3CBATRATRIPMAP4K4
SCHEMBL15131800 0.82 PIK3CB (0.42) PRKDCPIK3CBATRATRIPMAP4K4
SCHEMBL15131803 0.78 MAP4K4 (0.44) PRKDCPIK3CBATRATRIPMAP4K4
SCHEMBL17243665 0.78 PIK3CA (0.42) PRKDCPIK3CBATRATRIPMAP4K4

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