SCHEMBL30784473

SCHEMBL30784473

Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)[nH]c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 16/20 0.59
▸ PIK3CB P42338 6/20 0.59
▸ PIK3CD O00329 2/20 0.59
▸ PIK3CG P48736 2/20 0.59
▸ MTOR P42345 2/20 0.59
▸ PRKDC P78527 2/20 0.59
▸ SRC P12931 1/20 0.59
▸ DDX6 P26196 1/20 0.59
▸ PDE4A P27815 1/20 0.59
▸ CSK P41240 1/20 0.59
▸ PLK1 P53350 1/20 0.59
▸ PDE4B Q07343 1/20 0.59
▸ PDE4C Q08493 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59
▸ PI4KB Q9UBF8 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ AKT1 P31749 3/20 0.57
▸ AKT2 P31751 3/20 0.57
▸ AKT3 Q9Y243 3/20 0.57

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
SCHEMBL30784203 0.91 PIK3CA (0.54) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25531714 0.89 AKT1 (0.71) PIK3CAAKT1AKT2AKT3
SCHEMBL30590192 0.88 PIK3CA (0.60) PIK3CAPIK3CBMTORPRKDCAKT1
SCHEMBL26129488 0.88 PIK3CA (0.60) PIK3CAPIK3CBMTORPRKDCAKT1
SCHEMBL30783941 0.83 AKT1 (0.80) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30783640 0.83 AKT1 (0.80) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30784283 0.83 AKT1 (0.80) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30784264 0.82 AKT1 (0.67) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30784220 0.82 AKT1 (0.66) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30783879 0.82 AKT1 (0.66) PIK3CAPIK3CBPIK3CDPIK3CGMTOR

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-2024026424-A1 QUINAZOLINONE DERIVATIVES AS AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
Send feedback