SCHEMBL8072151

SCHEMBL8072151

COC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(N)c3)c2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.37
PARP1 P09874 1/20 0.37
KIT P10721 3/20 0.36
GRM2 Q14416 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSA P10619 1/20 0.36
FFAR1 O14842 2/20 0.35
MAPK1 P28482 1/20 0.34
ABL1 P00519 1/20 0.34
FLT3 P36888 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8070837 0.91 FFAR1 (0.39) CD274KITGRM2CTSAFFAR1
SCHEMBL8072156 0.91 GRM2 (0.42) CD274KITGRM2SMN1; SMN2CTSA
SCHEMBL3465800 0.89 PDE4D (0.42) CTSA
SCHEMBL3466193 0.88 FYN (0.40) CD274PARP1SMN1; SMN2CTSAMAPK1
SCHEMBL3798635 0.86 CTSA (0.41) KITCTSAMAPK1
SCHEMBL8066309 0.85 MAP4K4 (0.42) KITMAPK1ABL1FLT3NTRK1
SCHEMBL7913183 0.82 MAPK1 (0.41) MAPK1ABL1
SCHEMBL7917992 0.82 ADORA2A (0.38) KITGRM2CTSAFFAR1
SCHEMBL3791661 0.81 PDE4D (0.44) CD274GRM2CTSAMAPT
SCHEMBL3794094 0.80 GRM2 (0.41) GRM2SMN1; SMN2CTSAMAPK1FYN

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed