SCHEMBL9954515

SCHEMBL9954515

COC(=O)c1cncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 15/20 0.57
PIK3CG P48736 12/20 0.57
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
POLB P06746 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9959815 0.88 XDH (0.56) PI4KAPIK3CG
SCHEMBL9953679 0.88 PI4KA (0.51) PI4KAPIK3CGCYP11B1CYP11B2
SCHEMBL9954015 0.86 PI4KA (0.51) PI4KAPIK3CGIRAK4
SCHEMBL10288698 0.85 PI4KA (0.59) PI4KAPIK3CG
SCHEMBL10289054 0.84 PI4KA (0.51) PI4KAPIK3CGALDH1A1
SCHEMBL9954448 0.83 PI4KA (0.63) PI4KAPIK3CG
SCHEMBL9954007 0.82 PI4KA (0.71) PI4KAPIK3CG
SCHEMBL10289377 0.81 PI4KA (0.49) PI4KAPIK3CG
SCHEMBL9954693 0.80 PIM1 (0.46) PI4KAPIK3CGCYP11B2ALDH1A1SMN1; SMN2
SCHEMBL9954049 0.80 PI4KA (0.53) PI4KAPIK3CGMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655511-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2013-10-30 EP disclosed
WO-2012084914-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2012-06-28 WO disclosed
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