SCHEMBL17844712

SCHEMBL17844712

Nc1ccc(C=CC(=O)NCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cn4)cc(C(F)(F)F)c3[nH]2)cn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.62
▸ NAMPT P43490 2/20 0.53
▸ PAK1 Q13153 1/20 0.53
▸ STAT3 P40763 1/20 0.34
▸ DDR1 Q08345 1/20 0.33
▸ ATR Q13535 3/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GPR183 P32249 6/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ SPR P35270 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HPGD P15428 1/20 0.31

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
SCHEMBL17844711 1.00 PAK4 (0.62) PAK4NAMPTPAK1STAT3DDR1
SCHEMBL17859235 0.89 PAK4 (0.61) PAK4NAMPTPAK1STAT3DDR1
SCHEMBL19742299 0.88 PAK4 (0.65) PAK4NAMPTPAK1STAT3DDR1
SCHEMBL17859535 0.86 PAK4 (0.63) PAK4NAMPTPAK1STAT3GABRA5
SCHEMBL29611634 0.86 PAK4 (0.79) PAK4NAMPTPAK1STAT3GABRA5
SCHEMBL16347385 0.86 PAK4 (0.79) PAK4NAMPTPAK1STAT3GABRA5
SCHEMBL18317339 0.86 PAK4 (0.79) PAK4NAMPTPAK1STAT3GABRA5
SCHEMBL17844722 0.86 PAK4 (0.43) PAK4NAMPTPAK1STAT3DDR1
SCHEMBL17844730 0.85 PAK4 (0.61) PAK4NAMPTPAK1STAT3DDR1
SCHEMBL17844729 0.85 PAK4 (0.61) PAK4NAMPTPAK1STAT3DDR1

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-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 — — WO disclosed
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