SCHEMBL4725552

SCHEMBL4725552

FC(F)(F)c1cccc(-c2ncnc3ccc(OCc4ccccc4)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
MAOB P27338 5/20 0.45
ANO1 Q5XXA6 2/20 0.45
GPR34 Q9UPC5 1/20 0.45
NR4A2 P43354 2/20 0.45
IP6K1 Q92551 1/20 0.45
EGFR P00533 4/20 0.44
ERBB2 P04626 4/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL4725570 0.79 IP6K1 (0.50) IP6K1EGFRERBB2
SCHEMBL4729925 0.78 KMO (0.44) IP6K1EGFR
SCHEMBL4725560 0.78 MAPK1 (0.50) MAPTIP6K1EGFRERBB2
SCHEMBL4729003 0.78 CYSLTR1 (0.41) EGFR
SCHEMBL4728722 0.76 ADORA2A (0.53) MAPTMAOBIP6K1EGFRERBB2
SCHEMBL15175350 0.75 MAPT (0.64) POLBMAPTMAOBGPR34NR4A2
SCHEMBL5025938 0.75 MRGPRX4 (0.69) POLBMAPTMAOBNR4A2MRGPRX4
SCHEMBL855876 0.72 IP6K1 (0.56) MAOBIP6K1EGFRERBB2MAOA
SCHEMBL1875717 0.70 NR1H2 (0.49) POLBMAPTMAOBNR4A2MRGPRX4
SCHEMBL15712923 0.70 ADORA2A (0.49) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed