SCHEMBL9955586

SCHEMBL9955586

Nc1nc2ccc(I)cc2c(=O)n1-c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.44
PI4KA P42356 4/20 0.40
PIK3CG P48736 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9953324 0.87 HCAR1 (0.50) PI4KAPIK3CGHCAR1CA12CA1
SCHEMBL9954094 0.86 HCAR1 (0.51) HPDPI4KAPIK3CGHCAR1CA12
SCHEMBL9954374 0.85 HPD (0.44) HPDMEN1KMT2ADCTPP1HSD17B10
SCHEMBL9953665 0.85 TGM2 (0.45) HPDPI4KAPIK3CG
SCHEMBL9953795 0.83 SMN1; SMN2 (0.55) HPDPI4KAPIK3CGMEN1KMT2A
SCHEMBL9954546 0.82 PI4KA (0.44) PI4KAPIK3CG
SCHEMBL9955061 0.82 PIK3CG (0.48) PI4KAPIK3CGMEN1KMT2ASMN1; SMN2
SCHEMBL9953980 0.81 ATM (0.51) PI4KAPIK3CGMEN1KMT2AHCAR1
SCHEMBL10289024 0.78 SMN1; SMN2 (0.55) HPDPI4KAPIK3CGMEN1KMT2A
SCHEMBL9954423 0.78 POLB (0.41) PI4KAPIK3CGCA12CA1CA2

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