SCHEMBL14468227

SCHEMBL14468227

C=CC(=C)Sc1ccccc1CNc1nc(NC2CCCC2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 5/20 0.50
▸ APP P05067 2/20 0.46
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ PDE5A O76074 2/20 0.46
▸ ACP1 P24666 2/20 0.46
▸ OGG1 O15527 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TLR7 Q9NYK1 2/20 0.44
▸ CTNNB1 P35222 3/20 0.43
▸ TCF7L2 Q9NQB0 3/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ WHR1 P49842 1/20 0.41

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
SCHEMBL14412302 0.85 MERTK (0.47) MERTKAPPBCHEACHECXCR4
SCHEMBL14256444 0.85 MERTK (0.53) MERTKAPPBCHEACHECXCR4
SCHEMBL14256699 0.84 MERTK (0.52) MERTKAPPBCHEACHECXCR4
SCHEMBL14256546 0.83 MERTK (0.51) MERTKAPPBCHEACHECXCR4
SCHEMBL14256451 0.82 MERTK (0.52) MERTKAPPBCHEACHECXCR4
SCHEMBL14256450 0.79 MERTK (0.52) MERTKAPPBCHEACHECXCR4
SCHEMBL14256540 0.79 MERTK (0.55) MERTKAPPBCHEACHECXCR4
SCHEMBL14266722 0.79 MERTK (0.55) MERTKAPPBCHEACHECXCR4
SCHEMBL14468223 0.78 CXCR4 (0.46) MERTKAPPBCHEACHECXCR4
SCHEMBL14256454 0.76 MERTK (0.46) MERTKAPPBCHEACHECXCR4

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-2007081978-A2 MODULATORS OF HEPATOCYTE GROWTH FACTOR / C-MET ACTIVITY ANGION BIOMEDICA CORPORATION (US) 2007-07-19 — — WO disclosed
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