SCHEMBL5483800

SCHEMBL5483800

Cc1ccc(NC(=O)c2cc(OCCc3ccccn3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47
MTOR P42345 2/20 0.47
PIK3CB P42338 1/20 0.45
TYK2 P29597 2/20 0.45
SYK P43405 2/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HIF1A Q16665 1/20 0.45
BRSK1 Q8TDC3 1/20 0.45
FES P07332 1/20 0.45
FER P16591 1/20 0.45
FRK P42685 1/20 0.45
CAMK1D Q8IU85 1/20 0.45
PIKFYVE Q9Y2I7 1/20 0.45
MAPK14 Q16539 3/20 0.45
SMO Q99835 1/20 0.43
NAPEPLD Q6IQ20 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 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
SCHEMBL428720 0.92 TYK2 (0.49) PIK3CAPIK3CGPIK3CBTYK2SYK
SCHEMBL426412 0.90 PIK3CA (0.45) PIK3CAPIK3CGMTORPIK3CBTYK2
SCHEMBL431043 0.88 TYK2 (0.48) PIK3CAPIK3CGPIK3CBTYK2SYK
SCHEMBL427044 0.88 PIK3CA (0.44) PIK3CAPIK3CGMTORPIK3CBTYK2
SCHEMBL427231 0.87 NPC1 (0.44) PIK3CAPIK3CGMTORPIK3CBTYK2
SCHEMBL425757 0.87 PIK3CA (0.46) PIK3CAPIK3CGPIK3CBTYK2SYK
SCHEMBL430156 0.86 PIK3CA (0.44) PIK3CAPIK3CGMTORPIK3CBTYK2
SCHEMBL429416 0.85 TYK2 (0.48) PIK3CAPIK3CGPIK3CBTYK2SYK
SCHEMBL427852 0.85 MAPT (0.54) PIK3CATYK2SYKIRAK4KDM4E
SCHEMBL425546 0.85 PIK3CA (0.41) PIK3CAPIK3CGMTORPIK3CBTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO disclosed