SCHEMBL31456978

SCHEMBL31456978

CC(C)(C)OC(=O)NCc1cc(F)cc(-c2cnn(C3CCCCC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ MET P08581 2/20 0.39
▸ KIT P10721 2/20 0.38
▸ ACHE P22303 3/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35

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
SCHEMBL27377968 1.00 JAK2 (0.40) JAK2JAK1METKITACHE
SCHEMBL27377918 0.99 JAK2 (0.41) JAK2JAK1METKITACHE
SCHEMBL31456943 0.99 JAK2 (0.41) JAK2JAK1METKITACHE
SCHEMBL30751335 0.87 MKNK1 (0.41) JAK2JAK1METGRM2FGFR3
SCHEMBL27377996 0.87 MKNK1 (0.41) JAK2JAK1METGRM2FGFR3
SCHEMBL31457042 0.78 MET (0.46) JAK2JAK1METGRM2IRAK1
SCHEMBL30751323 0.78 MET (0.46) JAK2JAK1METGRM2IRAK1
SCHEMBL30751290 0.78 GRM2 (0.44) JAK2METGRM2DYRK1A
SCHEMBL27375154 0.78 GRM2 (0.44) JAK2METGRM2DYRK1A
SCHEMBL30751300 0.77 MET (0.38) JAK2JAK1METGRM2GSK3B

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-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
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