SCHEMBL26863370

SCHEMBL26863370

C[C@@H](O)CN[S@@](=N)(=O)c1ccc(Oc2ccnc3c(O)nccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.38
▸ ENPP1 P22413 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CCNC P24863 2/20 0.32
▸ CDK8 P49336 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ FGFR2 P21802 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ MET P08581 1/20 0.30

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
SCHEMBL26871089 1.00 BRAF (0.38) BRAFENPP1LMNAGAATSHR
SCHEMBL26863362 0.88 BRAF (0.36) BRAFENPP1LMNAGAATSHR
SCHEMBL26656465 0.88 BRAF (0.36) BRAFENPP1LMNAGAATSHR
SCHEMBL30666116 0.88 BRAF (0.36) BRAFENPP1LMNAGAATSHR
SCHEMBL26863368 0.87 BRAF (0.36) BRAFENPP1LMNAGAATSHR
SCHEMBL25467266 0.80 KDR (0.45) FGFR2PDGFRAKDRMET
SCHEMBL25465681 0.80 KDR (0.45) FGFR2PDGFRAKDRMET
SCHEMBL24028628 0.80 KDR (0.45) FGFR2PDGFRAKDRMET
SCHEMBL25467199 0.80 KDR (0.45) FGFR2PDGFRAKDRMET
SCHEMBL30666124 0.71 FGFR2 (0.33) BRAFENPP1LMNAGAATSHR

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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