SCHEMBL3885840

SCHEMBL3885840

Cc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(C(=O)N(C)C)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(C(=O)N3CCCCC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
KDM4E B2RXH2 5/20 0.52
LMNA P02545 4/20 0.52
HPGD P15428 1/20 0.52
PIKFYVE Q9Y2I7 8/20 0.46
FES P07332 1/20 0.44
FER P16591 1/20 0.44
TYK2 P29597 1/20 0.44
FRK P42685 1/20 0.44
SYK P43405 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
ALDH1A1 P00352 3/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL3885842 1.00 MAPT (0.52) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL430831 0.94 MAPT (0.58) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL430830 0.94 MAPT (0.58) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL428710 0.93 MAPT (0.59) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL428711 0.93 MAPT (0.59) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL426343 0.82 MAPT (0.60) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL426342 0.82 MAPT (0.60) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL4402269 0.79 KDM4E (0.72) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL425890 0.79 KDM4E (0.72) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL429878 0.78 MAPT (0.56) MAPTKDM4ELMNAHPGDPIKFYVE

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