SCHEMBL20016859

SCHEMBL20016859

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccc(-c6cccnc6)cc5)c5ccc(-c6ccc7c(-c8ccccc8)c8c(c(-c9ccccc9)c7c6)-c6cccc7c(-c9cccc(N(c%10ccc(-c%11cccnc%11)cc%10)c%10cccnc%10)c9)ccc-8c67)cn5)c4)c4cccc-3c24)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.35
▸ PIK3CA P42336 2/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ FLT3 P36888 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ DYRK1A Q13627 2/20 0.30
▸ QPCT Q16769 1/20 0.30
▸ QPCTL Q9NXS2 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ CLK2 P49760 1/20 0.30
▸ CLK3 P49761 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
SCHEMBL20016798 0.99 FYN (0.33) FYNPIK3CACYP11B1CYP11B2CHEK1
SCHEMBL20016875 0.97 FYN (0.34) FYNPIK3CACYP11B1CYP11B2CHEK1
SCHEMBL20016924 0.93 CYP17A1 (0.36) FYNCYP11B1CYP11B2
SCHEMBL16484096 0.90 CYP11B1 (0.39) FYNPIK3CACYP11B1CYP11B2CHEK1
SCHEMBL20016913 0.90 PIK3CA (0.32) PIK3CACYP11B1CYP11B2NTRK1
SCHEMBL20016890 0.89 PIK3CA (0.40) FYNPIK3CACYP11B1CYP11B2CHEK1
SCHEMBL16485099 0.88 CYP11B1 (0.40) FYNPIK3CACYP11B1CYP11B2CHEK1
SCHEMBL16484070 0.88 CYP11B1 (0.38) FYNCYP11B1CYP11B2CHEK1MAPK10
SCHEMBL16484659 0.88 CYP11B1 (0.40) FYNPIK3CACYP11B1CYP11B2CHEK1
SCHEMBL20016855 0.88 FYN (0.38) FYNPIK3CACYP11B1CYP11B2MAPK10

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
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 — — US disclosed
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