SCHEMBL429175

SCHEMBL429175

COc1ccc(CCOc2nc(N/N=C/c3cccc(C)c3)cc(N(C)C)n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FES P07332 1/20 0.47
FER P16591 1/20 0.47
TYK2 P29597 1/20 0.47
FRK P42685 1/20 0.47
SYK P43405 1/20 0.47
CAMK1D Q8IU85 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
PIKFYVE Q9Y2I7 1/20 0.47
MAPT P10636 13/20 0.43
KDM4E B2RXH2 7/20 0.43
APAF1 O14727 3/20 0.43
NSD2 O96028 3/20 0.43
SAE1 Q9UBE0 3/20 0.43
UBA2 Q9UBT2 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
GAA P10253 6/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 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
SCHEMBL429177 1.00 FES (0.47) FESFERTYK2FRKSYK
SCHEMBL1603126 1.00 FES (0.47) FESFERTYK2FRKSYK
SCHEMBL428182 0.86 MAPT (0.40) MAPTKDM4EMAPK1NPC1RAB9A
SCHEMBL429176 0.86 FES (0.47) FESFERTYK2FRKSYK
SCHEMBL428183 0.86 MAPT (0.40) MAPTKDM4EMAPK1NPC1RAB9A
SCHEMBL425003 0.82 TYK2 (0.68) FESFERTYK2FRKSYK
SCHEMBL425004 0.82 TYK2 (0.68) FESFERTYK2FRKSYK
SCHEMBL427218 0.82 FES (0.49) FESFERTYK2FRKSYK
SCHEMBL427219 0.82 FES (0.49) FESFERTYK2FRKSYK
SCHEMBL425563 0.81 MAPT (0.45) FESFERTYK2FRKSYK

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-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed