SCHEMBL176105

SCHEMBL176105

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)(C)C)cnc3F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.43
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
QPCT Q16769 2/20 0.34
PIK3R1 P27986 3/20 0.33
MTOR P42345 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CACNA1I Q9P0X4 1/20 0.33
PDE2A O00408 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CG P48736 1/20 0.33
APLNR P35414 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL3110983 0.89 PIK3CA (0.44) PIK3CALMNAMAPTAPLNRMEN1
SCHEMBL168144 0.86 PIK3CA (0.38) PIK3CALMNAMAPTPIK3R1MTOR
SCHEMBL169240 0.85 PIK3CA (0.44) PIK3CALMNAMAPTQPCTALDH1A1
SCHEMBL116627 0.85 PIK3CA (0.49) PIK3CALMNAMAPTQPCTALDH1A1
SCHEMBL166903 0.84 PIK3CA (0.43) PIK3CALMNAMAPTQPCTALDH1A1
SCHEMBL168049 0.84 PIK3CA (0.43) PIK3CALMNAMAPTQPCTALDH1A1
SCHEMBL114564 0.82 PIK3CA (0.42) PIK3CALMNAMAPTQPCTPDE2A
SCHEMBL167477 0.82 PIK3CA (0.43) PIK3CALMNAMAPTPIK3R1MTOR
SCHEMBL167060 0.81 PIK3CA (0.38) PIK3CALMNAMAPTALDH1A1CACNA1I
SCHEMBL3108787 0.81 PIK3CA (0.41) PIK3CALMNAMAPTALDH1A1MEN1

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-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed