SCHEMBL1633459

SCHEMBL1633459

NC(=O)c1cc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.46
EPHB4 P54760 1/20 0.39
MAPK10 P53779 2/20 0.39
JUN P05412 1/20 0.39
MAPK8 P45983 1/20 0.39
EGFR P00533 1/20 0.37
JAK2 O60674 5/20 0.37
TBK1 Q9UHD2 2/20 0.37
PIK3CA P42336 1/20 0.36
MYLK4 Q86YV6 2/20 0.35
STK17A Q9UEE5 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
LRRK2 Q5S007 1/20 0.35
JAK3 P52333 1/20 0.35
RIPK2 O43353 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
SCHEMBL1633457 0.92 EGFR (0.40) SYKEPHB4MAPK10JUNMAPK8
SCHEMBL1633436 0.87 MAPK10 (0.50) SYKMAPK10JUNMAPK8EGFR
SCHEMBL1571308 0.86 SYK (0.46) SYKEPHB4MAPK10JUNMAPK8
SCHEMBL1634531 0.86 SYK (0.47) SYKEPHB4MAPK10JUNMAPK8
SCHEMBL1633334 0.86 SYK (0.46) SYKEPHB4MAPK10JAK2TBK1
SCHEMBL1634528 0.84 SYK (0.47) SYKEPHB4JAK2TBK1JAK3
SCHEMBL1633941 0.83 LRRK2 (0.43) SYKMAPK10JUNMAPK8JAK2
SCHEMBL13498346 0.81 SYK (0.43) SYKEPHB4MAPK10MAPK8JAK2
SCHEMBL1633276 0.80 EGFR (0.50) MAPK10JUNMAPK8EGFRJAK2
SCHEMBL1633561 0.79 MAP4K1 (0.42) SYKEPHB4MAPK10JUNMAPK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed