SCHEMBL28730056

SCHEMBL28730056

CN(C(=O)OC(C)(C)C)c1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(O)c2o1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.41
▸ GABRA5 P31644 1/20 0.40
▸ HPGD P15428 1/20 0.36
▸ HRH3 Q9Y5N1 8/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ DYRK2 Q92630 5/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL18317509 0.89 PAK4 (0.44) PAK4GABRA5HPGDHRH3STAT3
SCHEMBL18325813 0.82 PAK4 (0.54) PAK4GABRA5HPGDHRH3DYRK2
SCHEMBL29999255 0.82 PAK4 (0.54) PAK4GABRA5HPGDHRH3DYRK2
SCHEMBL29611902 0.82 PAK4 (0.54) PAK4GABRA5HPGDHRH3DYRK2
SCHEMBL18317788 0.80 GABRA5 (0.43) PAK4GABRA5HPGDHRH3STAT3
SCHEMBL18317597 0.80 PAK4 (0.42) PAK4GABRA5HPGDHRH3STAT3
SCHEMBL16345168 0.80 PAK4 (0.43) PAK4GABRA5HPGDHRH3STAT3
SCHEMBL18317547 0.80 GABRA5 (0.41) PAK4GABRA5HRH3STAT3LRRK2
SCHEMBL24145505 0.78 PAK4 (0.45) PAK4GABRA5HPGDHRH3STAT3
SCHEMBL16347314 0.78 GABRA5 (0.41) PAK4GABRA5HPGDHRH3STAT3

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
CN-108440515-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2022-05-03 — — CN disclosed
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