SCHEMBL26862939

SCHEMBL26862939

COc1nccc2c(Nc3ccc([SH](=N)=O)cc3)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ EGFR P00533 2/20 0.37
▸ PTK6 Q13882 2/20 0.37
▸ PDGFRA P16234 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GAK O14976 7/20 0.34
▸ RIPK2 O43353 6/20 0.34
▸ COQ8A Q8NI60 6/20 0.34
▸ NLK Q9UBE8 6/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ADRA1D P25100 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ EPHB6 O15197 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ LCK P06239 2/20 0.34
▸ EPHA1 P21709 2/20 0.34
▸ EPHA8 P29322 2/20 0.34
▸ BMPR1B O00238 1/20 0.34

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
SCHEMBL25465413 0.83 HTR1A (0.55) HTTEGFRPTK6PDGFRAGAK
SCHEMBL26862940 0.80 HTT (0.49) HTTEGFRPTK6PTGS1PTGS2
SCHEMBL26656467 0.78 PTGS1 (0.39) HTTEGFRPTK6PDGFRAPTGS1
SCHEMBL26863122 0.78 MAP2K1 (0.43) EGFRSRCERBB2
SCHEMBL26656469 0.78 CA1 (0.47) HTTEGFRPTGS1PTGS2GAK
SCHEMBL26863377 0.77 GAK (0.39) HTTEGFRPTK6PDGFRAPTGS1
SCHEMBL25465414 0.77 GAK (0.61) HTTEGFRPTK6PDGFRAGAK
SCHEMBL26864357 0.76 PDGFRA (0.36) PDGFRA
SCHEMBL26863114 0.74 PTGS1 (0.41) HTTPTK6PTGS1PTGS2GAK
SCHEMBL25465062 0.73 EGFR (0.55) EGFRPDGFRAGAKRIPK2COQ8A

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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