SCHEMBL19787857

SCHEMBL19787857

COCCNc1c(-c2ccccc2)c(C(C)N2COCc3ccccc3C2=O)nc2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.48
PIK3CB P42338 8/20 0.48
PIK3CG P48736 8/20 0.48
PIK3CA P42336 7/20 0.48
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPR1 P16066 1/20 0.33
PDE10A Q9Y233 2/20 0.32
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL2729394 0.83 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL19787862 0.78 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL2720356 0.76 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL2720359 0.69 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL2720444 0.66 PIK3CD (0.66) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2718662 0.65 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CAMEN1
SCHEMBL3777986 0.65 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL3775568 0.65 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL3803189 0.65 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CACYP3A4
SCHEMBL2721579 0.65 PIK3CD (0.63) PIK3CDPIK3CBPIK3CGPIK3CAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed