SCHEMBL30666116

SCHEMBL30666116

COc1nccc2c(Oc3ccc([S@@](=N)(=O)NC[C@@H](C)O)cc3)ccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ PDGFRA P16234 6/20 0.33
▸ KDR P35968 6/20 0.33
▸ FGFR2 P21802 2/20 0.33
▸ MET P08581 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ PKM P14618 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
SCHEMBL26656465 1.00 BRAF (0.36) BRAFGAALMNATSHRHTT
SCHEMBL26863362 1.00 BRAF (0.36) BRAFGAALMNATSHRHTT
SCHEMBL26863368 0.91 BRAF (0.36) BRAFGAALMNATSHRHTT
SCHEMBL26863370 0.88 BRAF (0.38) BRAFGAALMNATSHRHTT
SCHEMBL26871089 0.88 BRAF (0.38) BRAFGAALMNATSHRHTT
SCHEMBL26864188 0.82 BRAF (0.36) BRAFGAAHTTPDGFRAKDR
SCHEMBL26656440 0.82 BRAF (0.36) BRAFGAAHTTPDGFRAKDR
SCHEMBL26865331 0.82 BRAF (0.36) BRAFGAAHTTPDGFRAKDR
SCHEMBL30666120 0.82 BRAF (0.36) BRAFGAAHTTPDGFRAKDR
SCHEMBL24028628 0.82 KDR (0.45) PDGFRAKDRFGFR2METCSF1R

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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