SCHEMBL22686782

SCHEMBL22686782

CC1(c2ccc(-c3ccc(C(F)(F)F)nc3N)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ HIPK3 Q9H422 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ APP P05067 1/20 0.33
▸ KCNH2 Q12809 4/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ FEN1 P39748 2/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ AKT2 P31751 1/20 0.32
▸ TKT P29401 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL22684799 0.71 IDO1 (0.39) APPKCNH2
SCHEMBL22685173 0.69 IDO1 (0.42) MAP4K4
SCHEMBL24448654 0.68 TRPV4 (0.47) —
SCHEMBL22685235 0.68 CLK1 (0.35) CLK1CLK2HIPK1HIPK2HIPK3
SCHEMBL25222544 0.67 MAP4K4 (0.50) MAP4K4FEN1SYK
SCHEMBL30112165 0.67 MAP4K4 (0.50) MAP4K4FEN1SYK
SCHEMBL25195525 0.67 PDK2 (0.41) MAP4K4FEN1
SCHEMBL30042674 0.67 PDK2 (0.41) MAP4K4FEN1
SCHEMBL898882 0.66 HSP90AA1 (0.38) KCNH2PIK3CAPI4KBPTGS2TKT
SCHEMBL29745069 0.66 HSP90AA1 (0.38) KCNH2PIK3CAPI4KBPTGS2TKT

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 — — WO disclosed
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