SCHEMBL4564748

SCHEMBL4564748

COc1ccc(CCOc2cc(N3CCOCC3)cc(NN=Cc3cccc(C)c3)n2)cc1OC.COc1ccc(CCOc2cc(Nc3ccc4[nH]c(C)c(C)c4c3)cc(N3CCOCC3)n2)cc1OC.COc1ccc(CCOc2cc(Nc3ccc4[nH]c(C)c(C)c4c3)nc(N3CCOCC3)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 5/20 0.42
FES P07332 1/20 0.42
FER P16591 1/20 0.42
TYK2 P29597 1/20 0.42
FRK P42685 1/20 0.42
SYK P43405 1/20 0.42
CAMK1D Q8IU85 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
LCK P06239 4/20 0.34
ALDH1A1 P00352 2/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CSF1R P07333 4/20 0.33
KIT P10721 2/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL425077 0.82 MEN1 (0.44) SYKMAPTKDM4ELMNALCK
SCHEMBL2672779 0.82 CSF1R (0.43) SYKMAPTKDM4ELMNAALDH1A1
SCHEMBL2672964 0.81 CSF1R (0.42) SYKMAPTKDM4ELMNAALDH1A1
SCHEMBL425850 0.81 PIKFYVE (0.54) PIKFYVEFESFERTYK2FRK
SCHEMBL430739 0.81 PIKFYVE (0.60) PIKFYVEFESFERTYK2FRK
SCHEMBL430738 0.81 PIKFYVE (0.60) PIKFYVEFESFERTYK2FRK
SCHEMBL425849 0.81 PIKFYVE (0.54) PIKFYVEFESFERTYK2FRK
SCHEMBL424028 0.79 PIKFYVE (0.54) PIKFYVEFESFERTYK2FRK
SCHEMBL424029 0.79 PIKFYVE (0.54) PIKFYVEFESFERTYK2FRK
SCHEMBL13444747 0.75 ZAP70 (0.41) MAPTKDM4ELMNAHPGDALDH1A1

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 4 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