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SCHEMBL20016879

SCHEMBL20016879

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(N(c5ccccc5)c5cc(-c6ccccn6)cc(-c6ccc(-c7ccc8c(-c9ccccc9)c9c(c(-c%10ccccc%10)c8c7)-c7cccc8c(-c%10ccc(N(c%11ccccc%11)c%11cc(-c%12cccnc%12)cc(-c%12cccnc%12)c%11)cc%10)ccc-9c78)cn6)c5)cc4)c4cccc-3c24)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ PIK3CA P42336 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ CYP11B1 P15538 2/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ KMO O15229 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ NTRK1 P04629 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
SCHEMBL20016795 0.90 CYP2A6 (0.37) PIM1PIM2CYP2A6PIK3CAGRM5
SCHEMBL20016812 0.89 CYP2A6 (0.38) PIM1PIM2CYP2A6PIK3CAGRM5
SCHEMBL20016901 0.87 PIK3CA (0.35) PIM1PIM2PIK3CAPIM3CYP11B1
SCHEMBL16484426 0.87 CYP11B1 (0.39) PIK3CAFYNCYP11B1CYP11B2CHEK1
SCHEMBL16484468 0.87 PDK2 (0.34) PIM1GRM5PIM3KDRPDK2
SCHEMBL20016801 0.87 PIK3CA (0.37) PIM1PIM2CYP2A6PIK3CAFYN
SCHEMBL20016878 0.86 PIK3CA (0.39) PIK3CACYP11B1CHEK1NTRK1
SCHEMBL20016891 0.85 CYP11B1 (0.33) CYP11B1PDK2
SCHEMBL23764253 0.84 PIK3CA (0.35) PIM1PIM2PIK3CAFYNPIM3
SCHEMBL16484438 0.84 CYP11B1 (0.39) PIM1PIM2CYP2A6PIK3CAFYN

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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