SCHEMBL9954435

SCHEMBL9954435

N#CNc1nc2ccc(Br)cc2c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ATM Q13315 2/20 0.42
MAPT P10636 2/20 0.42
PDE7A Q13946 1/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPD P32754 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
IDO1 P14902 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC2A1 P11166 1/20 0.36
SLC2A3 P11169 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9953670 0.85 ALDH1A1 (0.44) ATMMAPTLMNAMEN1KMT2A
SCHEMBL10289023 0.79 SMN1; SMN2 (0.49) POLBMAPTHPGDSMN1; SMN2MEN1
SCHEMBL10288659 0.78 POLB (0.53) POLBATMMAPTPDE7ALMNA
SCHEMBL9954482 0.76 CCKBR (0.40) ATMMAPTPDE7ALMNASMN1; SMN2
SCHEMBL9952861 0.76 TDO2 (0.46) ATMMAPTHPGDSMN1; SMN2MEN1
SCHEMBL31241102 0.73 CACNA2D1 (0.42) ATMMAPTHPGDMEN1KMT2A
SCHEMBL9953155 0.73 ATM (0.48) ATMMAPTPDE7AMEN1KMT2A
SCHEMBL9954454 0.70 MEN1 (0.41) POLBATMMAPTLMNAHPGD
SCHEMBL9954225 0.68 ALDH1A1 (0.52) ATMMAPTLMNAHPGDMEN1
SCHEMBL9952928 0.68 KMT2A (0.53) POLBMAPTHPGDMEN1KMT2A

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