SCHEMBL13354797

SCHEMBL13354797

CNc1nc(-c2ccc(N)c(F)c2)cc(N2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 10/20 0.60
▸ AURKB Q96GD4 10/20 0.60
▸ AURKA O14965 9/20 0.60
▸ EIF2AK4 Q9P2K8 1/20 0.42
▸ SYK P43405 2/20 0.40
▸ BTK Q06187 1/20 0.38
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ITGAL P20701 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ MAP4K4 O95819 2/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL13354730 0.91 PDPK1 (0.56) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12119839 0.88 AURKA (0.54) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12122733 0.87 AURKA (0.60) PDPK1AURKBAURKASYKBTK
SCHEMBL13354875 0.87 AURKA (0.52) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12119836 0.85 AURKA (0.51) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12119838 0.84 PDPK1 (0.84) PDPK1AURKBAURKAPIK3CGROCK1
SCHEMBL12119841 0.82 AURKA (0.47) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL13354794 0.81 AURKA (0.68) PDPK1AURKBAURKAEIF2AK4SYK
SCHEMBL12119819 0.81 AURKA (0.67) PDPK1AURKBAURKAEIF2AK4
SCHEMBL12119831 0.80 AURKA (0.51) PDPK1AURKBAURKAEIF2AK4BTK

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-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
Send feedback