SCHEMBL19787862

SCHEMBL19787862

COCCNc1c(-c2ccccc2)c(C(C)N2C(=O)c3ccccc3C2O)nc2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.50
PIK3CA P42336 5/20 0.50
PIK3CB P42338 5/20 0.50
PIK3CG P48736 5/20 0.50
PDE10A Q9Y233 8/20 0.36
CASP3 P42574 2/20 0.36
NPR1 P16066 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL2729394 0.85 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPDE10A
SCHEMBL19787854 0.80 DHODH (0.41) PIK3CDPIK3CAPIK3CBPIK3CGCASP3
SCHEMBL19787858 0.80 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPDE10A
SCHEMBL19787857 0.78 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE10A
SCHEMBL2720356 0.78 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGNPR1
SCHEMBL13063161 0.77 DHODH (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPDE10A
SCHEMBL2720359 0.69 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL2721579 0.68 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL2720444 0.67 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2718662 0.67 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGCASP3

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