SCHEMBL1680073

SCHEMBL1680073

COc1c(-c2nc(N3CCOCC3)nc3c2ncn3C2CCOCC2)ccc2[nH]c(C(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
FLT3 P36888 5/20 0.39
PDGFRA P16234 1/20 0.37
CSNK1E P49674 5/20 0.36
CSNK1D P48730 2/20 0.36
MTOR P42345 2/20 0.36
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC9 Q9UKV0 4/20 0.34
HDAC5 Q9UQL6 4/20 0.34

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
SCHEMBL1680094 0.91 PIK3R1 (0.52) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL1680076 0.89 PIK3CA (0.38) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL1680098 0.81 PIK3CD (0.52) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL1680095 0.80 PIK3CA (0.41) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL1680080 0.78 PIK3CA (0.38) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL1680083 0.78 PIK3CA (0.52) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL1680087 0.76 PIK3CA (0.42) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL11899777 0.76 PIK3CA (0.44) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL1680100 0.76 PIK3CA (0.41) PIK3CBPIK3CAPIK3CDPIK3R1FLT3
SCHEMBL1680106 0.76 PIK3CA (0.41) PIK3CBPIK3CAPIK3CDPIK3R1FLT3

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-2483272-A2 PI3K (DELTA) SELECTIVE INHIBITORS Xcovery Holding Company LLC (US) 2012-08-08 EP claimed
WO-2011041399-A2 PI3K (DELTA) SELECTIVE INHIBITORS TYROGENEX, INC. (US) 2011-04-07 WO claimed
EP-2483272-A2 PI3K (DELTA) SELECTIVE INHIBITORS Xcovery Holding Company LLC (US) 2012-08-08 EP disclosed
WO-2011041399-A2 PI3K (DELTA) SELECTIVE INHIBITORS TYROGENEX, INC. (US) 2011-04-07 WO disclosed