SCHEMBL807829

SCHEMBL807829

C[C@H](O)C(=O)N1CCC(c2nnc3cnc4ccc(C5C=C(C(F)(F)F)C(N)=NC5)cc4n23)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 17/20 0.38
PIK3CB P42338 14/20 0.38
ATR Q13535 14/20 0.38
ATRIP Q8WXE1 14/20 0.38
ATM Q13315 9/20 0.38
MTOR P42345 5/20 0.36
SERPINA2 P20848 2/20 0.36
TRPC6 Q9Y210 2/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL796977 0.78 PRKDC (0.48) PRKDCPIK3CBATRATRIPATM
SCHEMBL15123762 0.78 PRKDC (0.48) PRKDCPIK3CBATRATRIPATM
SCHEMBL797021 0.76 PRKDC (0.46) PRKDCPIK3CBATRATRIPATM
SCHEMBL797022 0.76 PRKDC (0.46) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131813 0.74 PRKDC (0.54) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131816 0.73 PRKDC (0.45) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131817 0.73 PRKDC (0.45) PRKDCPIK3CBATRATRIPATM
SCHEMBL15131814 0.68 MTOR (0.36) PRKDCPIK3CBATRATRIPATM
SCHEMBL807841 0.62 ROCK2 (0.32)
SCHEMBL15131819 0.62 PRKDC (0.55) 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