SCHEMBL20180148

SCHEMBL20180148

CC1(C)OB(c2cccc(Nc3ccc4ccc(-c5ccncc5)cc4c3C(=N)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.38
LPL P06858 2/20 0.38
ALK Q9UM73 1/20 0.35
PKMYT1 Q99640 1/20 0.35
ABCG2 Q9UNQ0 8/20 0.34
ABCB1 P08183 3/20 0.34
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
HDAC2 Q92769 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
BUB1 O43683 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
SCHEMBL20180141 0.86 LPL (0.37) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20615284 0.83 ADRA2A (0.36) LIPGLPLEGFRLMNAHPGD
SCHEMBL20180153 0.82 ALK (0.41) ALKPKMYT1ABCG2ABCB1EGFR
SCHEMBL20180255 0.80 LIPG (0.44) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180122 0.77 EGFR (0.39) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180158 0.77 EGFR (0.38) LIPGLPLALKPKMYT1EGFR
SCHEMBL20180251 0.75 LIPG (0.42) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20180263 0.75 EGFR (0.39) LIPGLPLEGFRPDGFRBKDR
SCHEMBL20615350 0.75 LIPG (0.44) LIPGLPLALKEGFRPDGFRB
SCHEMBL20180154 0.74 LIPG (0.41) LIPGLPLALKEGFRPDGFRB

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