SCHEMBL1633636

SCHEMBL1633636

CS(=O)(=O)c1cccc(Nc2ncc3cccc(-c4ccc(NCCN5CCCC5)nc4)c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 10/20 0.48
ACVR1 Q04771 3/20 0.48
NOD2 Q9HC29 6/20 0.44
JAK2 O60674 4/20 0.43
JAK3 P52333 2/20 0.43
PTK2 Q05397 2/20 0.43
MAPK10 P53779 3/20 0.43
JUN P05412 1/20 0.43
SRC P12931 1/20 0.43
JAK1 P23458 1/20 0.42
FGFR2 P21802 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL1632922 0.92 JAK2 (0.48) RIPK2ACVR1NOD2JAK2JAK3
SCHEMBL1633630 0.88 MAPK10 (0.45) MAPK10JUNFGFR2
SCHEMBL1631565 0.87 MAPK10 (0.48) JAK2MAPK10JUNFGFR2BRD4
SCHEMBL1634890 0.87 MAPK10 (0.47) JAK2MAPK10JUNFGFR2BRD4
SCHEMBL1633364 0.86 KDR (0.45) MAPK10JUNFGFR2
SCHEMBL1632057 0.86 GBA1 (0.45) JAK2JAK3PTK2MAPK10JUN
SCHEMBL1632629 0.86 MAPK10 (0.44) JAK2JAK3MAPK10JUNSRC
SCHEMBL1633149 0.85 CA1 (0.48) JAK2MAPK10SRCFGFR2BRD4
SCHEMBL1631314 0.84 CTSC (0.45) JAK3MAPK10JUNSRCFGFR2
SCHEMBL1631425 0.84 MAOB (0.42) JAK2MAPK10JUNSRCFGFR2

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