SCHEMBL1634161

SCHEMBL1634161

CNC(=O)Cc1cccc(Nc2ncc3cccc(-c4ccc(NCCN5CCCC5)nc4)c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 3/20 0.42
MAPK10 P53779 4/20 0.41
JUN P05412 2/20 0.41
PTK2 Q05397 1/20 0.40
AURKA O14965 2/20 0.39
NEK2 P51955 1/20 0.39
CDK4 P11802 1/20 0.39
EGFR P00533 2/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
BRD4 O60885 1/20 0.38
MELK Q14680 1/20 0.38
FGFR1 P11362 2/20 0.38
KDR P35968 2/20 0.38
BRAF P15056 1/20 0.38
SRC P12931 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL1632137 0.92 MAPK10 (0.46) FGFR2MAPK10JUNEGFRJAK2
SCHEMBL13498338 0.87 SYK (0.43) MAPK10JUNPTK2AURKANEK2
SCHEMBL1631565 0.84 MAPK10 (0.48) FGFR2MAPK10JUNCDK4JAK2
SCHEMBL1634890 0.84 MAPK10 (0.47) FGFR2MAPK10JUNJAK2BRD4
SCHEMBL1633636 0.84 RIPK2 (0.48) FGFR2MAPK10JUNPTK2JAK2
SCHEMBL1633364 0.84 KDR (0.45) FGFR2MAPK10JUNCDK4KDR
SCHEMBL1633229 0.84 TBK1 (0.49) MAPK10PTK2AURKAEGFRJAK2
SCHEMBL1632057 0.83 GBA1 (0.45) FGFR2MAPK10JUNPTK2EGFR
SCHEMBL12724595 0.83 MAPK10 (0.45) FGFR2MAPK10JUNEGFRJAK2
SCHEMBL1632441 0.82 MAPK10 (0.48) FGFR2MAPK10JUNEGFRJAK2

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