SCHEMBL17844730

SCHEMBL17844730

Cn1c(CNC(=O)C=Cc2ccc(N)nc2)cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.61
▸ NAMPT P43490 1/20 0.52
▸ PAK1 Q13153 1/20 0.52
▸ GABRA5 P31644 1/20 0.35
▸ STAT3 P40763 3/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ MTOR P42345 4/20 0.33
▸ GPR183 P32249 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ATR Q13535 1/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ PRKAA2 P54646 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
SCHEMBL17844729 1.00 PAK4 (0.61) PAK4NAMPTPAK1GABRA5STAT3
SCHEMBL19753620 0.91 PAK4 (0.63) PAK4NAMPTPAK1GABRA5PIK3CA
SCHEMBL17859237 0.86 PAK4 (0.59) PAK4NAMPTPAK1GABRA5STAT3
SCHEMBL17844711 0.85 PAK4 (0.62) PAK4NAMPTPAK1GABRA5STAT3
SCHEMBL17844712 0.85 PAK4 (0.62) PAK4NAMPTPAK1GABRA5STAT3
SCHEMBL17844697 0.85 GABRA5 (0.42) PAK4GABRA5STAT3HPGDHRH3
SCHEMBL17859535 0.85 PAK4 (0.63) PAK4NAMPTPAK1GABRA5STAT3
SCHEMBL16347385 0.85 PAK4 (0.79) PAK4NAMPTPAK1GABRA5STAT3
SCHEMBL29611634 0.85 PAK4 (0.79) PAK4NAMPTPAK1GABRA5STAT3
SCHEMBL18317339 0.85 PAK4 (0.79) PAK4NAMPTPAK1GABRA5STAT3

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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