SCHEMBL9954066

SCHEMBL9954066

Nc1nc2ccc(I)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.46
PIK3CG P48736 2/20 0.46
POLB P06746 1/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CTSD P07339 1/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
TRPV4 Q9HBA0 2/20 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
SCHEMBL9955061 0.87 PIK3CG (0.48) PI4KAPIK3CGLCKSRC
SCHEMBL9954651 0.86 POLB (0.53) PI4KAPIK3CGPOLBCA12CA1
SCHEMBL9954576 0.85 ESR2 (0.41) POLBCA12CA1CA2CA9
SCHEMBL9953324 0.84 HCAR1 (0.50) PI4KAPIK3CGCA12CA1CA2
SCHEMBL9954094 0.83 HCAR1 (0.51) PI4KAPIK3CGPOLBCA12CA1
SCHEMBL9953556 0.82 CA12 (0.42) POLBCA12CA1CA2CA9
SCHEMBL9954423 0.81 POLB (0.41) PI4KAPIK3CGPOLBCA12CA1
SCHEMBL9953024 0.80 CA12 (0.52) CA12CA1CA2CA9
SCHEMBL9954672 0.79 TDO2 (0.52) PIK3CGPOLBLCKKITSRC
SCHEMBL9952676 0.78 HCAR1 (0.56) PI4KAPIK3CGPOLB

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