SCHEMBL21885705

SCHEMBL21885705

CC(=N)NC(=O)c1cc(-n2cccn2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
LMNA P02545 2/20 0.40
GLS O94925 1/20 0.40
TP53 P04637 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
F9 P00740 1/20 0.38
LRRK2 Q5S007 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
KMT2A Q03164 1/20 0.38
KLKB1 P03952 2/20 0.38

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
SCHEMBL21884446 0.88 KAT6A (0.43) KAT6ALMNAGLSERCC1ERCC4
SCHEMBL18397864 0.83 TP53 (0.45) KAT6APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18397923 0.74 PRKDC (0.48) KAT6APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1316515 0.71 ACLY (0.49) KAT6ATBK1
SCHEMBL18397880 0.71 RXFP1 (0.43) KAT6APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6774142 0.70 MAPT (0.51) KAT6APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7632450 0.70 MAPT (0.50) PIK3CDPIK3CAPIK3CBPIK3CGLMNA
SCHEMBL16983933 0.70 MAPT (0.46) LMNATP53ERCC1ERCC4LRRK2
SCHEMBL29564059 0.69 KDM4E (0.45) KAT6ALMNAERCC1ERCC4LRRK2
SCHEMBL18397856 0.69 PTPN1 (0.46) KAT6APIK3CDPIK3CAPIK3CBPIK3CG

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
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed