SCHEMBL9953326

SCHEMBL9953326

Nc1nc2ccc(Br)cc2c(=O)n1C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PIK3CA P42336 2/20 0.40
ATM Q13315 2/20 0.40
MTOR P42345 1/20 0.40
ATR Q13535 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HCAR1 Q9BXC0 1/20 0.39
CTSD P07339 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
HTT P42858 2/20 0.38
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37

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
SCHEMBL9952794 0.85 HCAR1 (0.41) ATMKMT2AMEN1HCAR1CTSD
SCHEMBL14247586 0.82 CCNC (0.43) PIK3CAATMMTORATRHCAR1
SCHEMBL9953287 0.80 LMNA (0.40) PI4KAPIK3CGPIK3CAATMKMT2A
SCHEMBL10289133 0.80 CACNA2D1 (0.39) ATMMTORKMT2AMEN1CTSD
SCHEMBL16204803 0.74 HCAR1 (0.52) ATMKMT2AMEN1HCAR1MAPT
SCHEMBL9953779 0.73 ALOX15 (0.55) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL10289137 0.73 PI4KA (0.62) PI4KAPIK3CGPIK3CAATMMTOR
SCHEMBL9953300 0.72 PDE5A (0.46) ATMKMT2AMEN1CTSDALDH1A1
SCHEMBL31241110 0.72 PDE5A (0.46) ATMKMT2AMEN1CTSDALDH1A1
SCHEMBL9960599 0.71 MAPK1 (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed