SCHEMBL4768041

SCHEMBL4768041

Cc1cccc(-c2cc(N3CCN(C)CC3)cc(OCCc3ccccn3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.42
RAD52 P43351 1/20 0.42
TLR9 Q9NR96 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
FES P07332 1/20 0.40
FER P16591 1/20 0.40
TYK2 P29597 1/20 0.40
FRK P42685 1/20 0.40
SYK P43405 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
ADORA2A P29274 1/20 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
SCHEMBL423952 0.73 TYK2 (0.42) TLR9HRH4FESFERTYK2
SCHEMBL605109 0.72 HRH4 (0.55) S100A4RAD52HRH4
SCHEMBL2385751 0.72 HRH4 (0.61) S100A4RAD52HRH4KCNH2MAPKAPK2
SCHEMBL430895 0.69 PIKFYVE (0.58) FESFERTYK2FRKSYK
SCHEMBL10196781 0.69 PIKFYVE (0.58) FESFERTYK2FRKSYK
SCHEMBL430894 0.69 PIKFYVE (0.58) FESFERTYK2FRKSYK
SCHEMBL426587 0.68 SYK (0.43) FESFERTYK2FRKSYK
SCHEMBL23773557 0.67 TYK2 (0.61) FESFERTYK2FRKSYK
SCHEMBL18115278 0.67 PIKFYVE (0.83) TLR9HRH4FESFERTYK2
SCHEMBL18115272 0.67 PIKFYVE (0.83) TLR9HRH4FESFERTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP claimed
JP-2007510745-A 2007-04-26 JP claimed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP disclosed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO disclosed