SCHEMBL9954423

SCHEMBL9954423

Nc1nc2ccc(I)cc2c(=O)n1-c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PIK3CD O00329 3/20 0.40
PIK3R1 P27986 2/20 0.40
PI4KA P42356 5/20 0.39
TDO2 P48775 2/20 0.39
IDO2 Q6ZQW0 2/20 0.39
IDO1 P14902 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
PIK3CG P48736 4/20 0.38
TYMS P04818 1/20 0.37
TGM2 P21980 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
SCHEMBL9954651 0.89 POLB (0.53) POLBPI4KATDO2IDO2IDO1
SCHEMBL9953665 0.88 TGM2 (0.45) PIK3CDPI4KAPIK3CGTGM2
SCHEMBL9953324 0.85 HCAR1 (0.50) PI4KACA12CA1CA2CA9
SCHEMBL9953129 0.84 POLB (0.41) POLBPIK3CDPIK3R1TDO2IDO2
SCHEMBL9953800 0.84 POLB (0.41) POLBPI4KACA12CA1CA2
SCHEMBL9954094 0.81 HCAR1 (0.51) POLBPI4KACA12CA1CA2
SCHEMBL9953556 0.81 CA12 (0.42) POLBCA12CA1CA2CA9
SCHEMBL9952904 0.81 GLA (0.51) POLBPI4KATDO2IDO2IDO1
SCHEMBL9954066 0.81 PI4KA (0.46) POLBPI4KACA12CA1CA2
SCHEMBL9954505 0.80 PDE7A (0.45) PI4KATDO2IDO2TYMS

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