SCHEMBL28777546

SCHEMBL28777546

C[C@H](NC(=O)c1cnc(C#N)c(-c2cc(F)cc(F)c2)c1N1CC[C@H](OC(N)=O)C1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 4/20 0.35
▸ SSTR2 P30874 3/20 0.35
▸ ACACB O00763 4/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ RET P07949 1/20 0.32

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
SCHEMBL28777548 1.00 AXL (0.35) AXLSSTR2ACACBCSNK1EHRH3
SCHEMBL28777550 1.00 AXL (0.35) AXLSSTR2ACACBCSNK1EHRH3
SCHEMBL28777613 0.90 ACACB (0.33) AXLSSTR2ACACBCSNK1EHRH3
Zavolosotine SCHEMBL22976175 0.88 SSTR2 (0.38) SSTR2RET
Zavolosotine SCHEMBL22976253 0.88 SSTR2 (0.38) SSTR2RET
Zavolosotine SCHEMBL22976246 0.88 SSTR2 (0.38) SSTR2RET
Zavolosotine SCHEMBL29720052 0.88 SSTR2 (0.38) SSTR2RET
Zavolosotine SCHEMBL22976243 0.88 SSTR2 (0.38) SSTR2RET
Zavolosotine SCHEMBL22976228 0.88 SSTR2 (0.38) SSTR2RET
Zavolosotine SCHEMBL29720019 0.88 SSTR2 (0.38) SSTR2RET

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-114585614-A Non-peptide somatostatin type 5 receptor agonists and uses thereof 克林提克斯医药股份有限公司 2022-06-03 — — CN disclosed
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