SCHEMBL5485306

SCHEMBL5485306

OC1CCN(c2ccnc(N3CCOCC3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.49
ATR Q13535 1/20 0.48
ATRIP Q8WXE1 1/20 0.48
ACACB O00763 11/20 0.48
PIK3CD O00329 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CB P42338 1/20 0.46
USP30 Q70CQ3 1/20 0.45
MTOR P42345 2/20 0.45

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
SCHEMBL5457199 0.88 PIK3CA (0.55) PIK3CAACACBPIK3CDMEN1USP2
SCHEMBL20000530 0.83 PIK3CA (0.51) PIK3CAACACBPIK3CDMEN1USP2
SCHEMBL19725018 0.81 PIK3CA (0.49) PIK3CAACACBPIK3CDMEN1USP2
SCHEMBL1123812 0.78 MAPT (0.58) PIK3CAPIK3CDALDH1A1TSHRHSD17B10
SCHEMBL9893154 0.77 ACACB (0.45) PIK3CAACACBPIK3CDPIK3R1PIK3CB
SCHEMBL22616878 0.76 KMT2A (0.78) PIK3CAMEN1USP2ALDH1A1ALOX15
SCHEMBL30818913 0.76 ACACB (0.54) ACACBPIK3CBUSP30
SCHEMBL30818658 0.75 HRH3 (0.51) PIK3CAPIK3CDALDH1A1CYP1A2HSD17B10
SCHEMBL5525967 0.75 PIK3CA (0.58) PIK3CAPIK3CDALDH1A1PIK3R1PIK3CB
SCHEMBL9893036 0.75 ACACB (0.44) PIK3CAACACBPIK3CDPIK3R1PIK3CB

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