SCHEMBL30666124

SCHEMBL30666124

COc1ccc([C@@H](C)N=[S@](=O)(NC[C@@H](C)O)c2ccc(Oc3ccnc4c(OC)nccc34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 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
SCHEMBL26656460 1.00 FGFR2 (0.33) FGFR2BRAFPDGFRAKDRALDH1A1
SCHEMBL26868109 1.00 FGFR2 (0.33) FGFR2BRAFPDGFRAKDRALDH1A1
SCHEMBL26868110 1.00 FGFR2 (0.33) FGFR2BRAFPDGFRAKDRALDH1A1
SCHEMBL26656446 0.87 PTGS1 (0.37) BRAFPDGFRAALDH1A1GRM1GAA
SCHEMBL26866143 0.87 PTGS1 (0.37) BRAFPDGFRAALDH1A1GRM1GAA
SCHEMBL26866144 0.87 PTGS1 (0.37) BRAFPDGFRAALDH1A1GRM1GAA
SCHEMBL25464961 0.85 KDR (0.41) FGFR2PDGFRAKDR
SCHEMBL25467132 0.85 KDR (0.41) FGFR2PDGFRAKDR
SCHEMBL30666116 0.82 BRAF (0.36) FGFR2BRAFPDGFRAKDRALDH1A1
SCHEMBL26863362 0.82 BRAF (0.36) FGFR2BRAFPDGFRAKDRALDH1A1

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-2023225001-A1 NAPHTHYRIDINE BASED ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2023-11-23 — — WO disclosed
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