SCHEMBL10033150

SCHEMBL10033150

CNc1ccc(-c2cccc(C(C)=O)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.51
MAP4K4 O95819 3/20 0.49
CLK4 Q9HAZ1 3/20 0.49
KDR P35968 2/20 0.49
MAPK8 P45983 2/20 0.49
CDK8 P49336 2/20 0.49
ACVR1 Q04771 2/20 0.49
MST1R Q04912 2/20 0.49
ROCK1 Q13464 2/20 0.49
LRRK2 Q5S007 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
CSNK1G2 P78368 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
PLK4 O00444 1/20 0.49
DCLK1 O15075 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49

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
SCHEMBL22801096 0.82 FYN (0.58) FYNMAP4K4CLK4KDRMAPK8
SCHEMBL5991753 0.80 FYN (0.55) FYNMAP4K4CLK4KDRMAPK8
SCHEMBL14988455 0.79 FYN (0.56) FYNMAP4K4CLK4KDRMAPK8
SCHEMBL2560542 0.79 LDHA (0.68) FYNMAP4K4CLK4KDRMAPK8
SCHEMBL10033044 0.78 WNT3A (0.45) MAP4K4PTPN2PTPN1BAZ2B
SCHEMBL9057614 0.76 BAZ2B (0.53) PTPN2PTPN1BAZ2B
SCHEMBL22801095 0.75 FYN (0.53) FYNMAP4K4CLK4KDRMAPK8
SCHEMBL30937997 0.74 MAP4K4 (0.55) FYNMAP4K4CLK4KDRMAPK8
SCHEMBL17742695 0.74 MAP4K4 (0.55) FYNMAP4K4CLK4KDRMAPK8
SCHEMBL7768635 0.73 ALDH1A1 (0.66)

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-2012014994-A1 NAPHTHALENE DERIVATIVE ダイトーケミックス株式会社 (JP) 2012-02-02 WO disclosed