SCHEMBL8090796

SCHEMBL8090796

Nc1ccc2c(/C=C/C3=CC=CCN3)nn(C3CCCCO3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
DGAT2 Q96PD7 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
SCHEMBL8082699 0.85 CYP1A2 (0.33) DGAT2
SCHEMBL8092372 0.84 RET (0.31) RETDGAT2
SCHEMBL4053575 0.80 RET (0.37) RETDGAT2
SCHEMBL4053570 0.80 RET (0.37) RETDGAT2
SCHEMBL5207821 0.77 RET (0.39) RETDGAT2
SCHEMBL14527956 0.76 GAA (0.34) RETDGAT2
SCHEMBL5208307 0.76 GAA (0.34) RETDGAT2
SCHEMBL29659128 0.73 GAA (0.47) RETDGAT2
SCHEMBL2144073 0.73 GAA (0.47) RETDGAT2
SCHEMBL30786116 0.72 RXRA (0.33) RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036066-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed