SCHEMBL5333911

SCHEMBL5333911

CNc1cc(-c2ccc(F)cc2F)c2nc(Nc3ccc(CN(C)CCOC)cn3)sc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.38
MET P08581 2/20 0.38
F10 P00742 1/20 0.34
GRM2 Q14416 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
BRAF P15056 1/20 0.33
MAP4K4 O95819 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KIT P10721 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
CDK7 P50613 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL5309711 0.79 GRM2 (0.41) GRM2CDK9BRAFMAP4K4MEN1
SCHEMBL5311867 0.79 MERTK (0.45) MERTKMETFGFR3BTKAXL
SCHEMBL5315261 0.77 BDKRB1 (0.37) MERTKMETCCNT1CDK9BTK
SCHEMBL5313507 0.77 DYRK2 (0.45) MERTKMETFGFR3SRC
SCHEMBL14531011 0.76 BRAF (0.36) MERTKMETF10GRM2BRAF
SCHEMBL5314922 0.76 PDE1B (0.35) MERTKMETGRM2CCNT1CDK9
SCHEMBL5334782 0.69 MERTK (0.43) MERTKMETAXL
SCHEMBL5311883 0.69 TNIK (0.45) MERTKGRM2KCNH2BTK
SCHEMBL5335191 0.68 MAPK8 (0.39) MERTKMETCCNT1SRC
SCHEMBL5314023 0.67 KDR (0.47) MERTKMETCDK9AXL

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-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed