SCHEMBL20180170

SCHEMBL20180170

CC1(C)OB(c2cccc(-c3ccc(Nc4ccncc4)c(C=N)c3)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.36
LPL P06858 6/20 0.36
EGFR P00533 2/20 0.35
MAP4K4 O95819 2/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
ALK Q9UM73 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL20180158 0.91 EGFR (0.38) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180231 0.90 LIPG (0.45) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180311 0.85 LIPG (0.47) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180228 0.82 LIPG (0.38) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180167 0.78 NPC1 (0.38) EGFRMAP4K4KDRALK
SCHEMBL12763669 0.76 LIPG (0.53) LIPGLPLEGFR
SCHEMBL20180154 0.75 LIPG (0.41) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180132 0.75 EGFR (0.42) LIPGLPLEGFRPDGFRBKDR
SCHEMBL17726116 0.74 LIPG (0.50) LIPGLPLEGFR
SCHEMBL17725878 0.74 LIPG (0.50) LIPGLPLEGFR

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed