SCHEMBL423836

SCHEMBL423836

Cc1cccc(C=NNc2cc(N3CCOCC3)cc(CCCOC(=O)C3CCCCC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 9/20 0.50
FES P07332 1/20 0.50
FER P16591 1/20 0.50
TYK2 P29597 1/20 0.50
FRK P42685 1/20 0.50
SYK P43405 1/20 0.50
CAMK1D Q8IU85 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NPY1R P25929 1/20 0.39
KCNH2 Q12809 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL423835 1.00 PIKFYVE (0.50) PIKFYVEFESFERTYK2FRK
SCHEMBL425426 0.89 PIKFYVE (0.51) PIKFYVEFESFERTYK2FRK
SCHEMBL425425 0.89 PIKFYVE (0.51) PIKFYVEFESFERTYK2FRK
SCHEMBL428607 0.87 PIKFYVE (0.50) PIKFYVEFESFERTYK2FRK
SCHEMBL428606 0.87 PIKFYVE (0.50) PIKFYVEFESFERTYK2FRK
SCHEMBL430034 0.86 PIKFYVE (0.52) PIKFYVEFESFERTYK2FRK
SCHEMBL430035 0.86 PIKFYVE (0.52) PIKFYVEFESFERTYK2FRK
SCHEMBL4404386 0.85 PIKFYVE (0.51) PIKFYVEFESFERTYK2FRK
SCHEMBL425637 0.85 PIKFYVE (0.51) PIKFYVEFESFERTYK2FRK
SCHEMBL3895492 0.85 PIKFYVE (0.51) PIKFYVEFESFERTYK2FRK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687004-A4 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-04-08 EP claimed
JP-2007510747-A 2007-04-26 JP claimed
EP-1687004-A2 PYRIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
WO-2005046603-A2 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed