SCHEMBL18308504

SCHEMBL18308504

COc1ccc(Cc2nnc3cnc4cc(/C(C(C)=N)=C(\C)O)c(OC)cc4n23)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.36
▸ IDH1 O75874 6/20 0.36
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ RIOX2 Q8IUF8 1/20 0.32
▸ KDM8 Q8N371 1/20 0.32

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
SCHEMBL18308541 0.94 MET (0.35) METIDH1PDGFRBPDGFRA
SCHEMBL18308416 0.93 GAA (0.33) METIDH1KDM4E
SCHEMBL18308537 0.93 MAPT (0.36) METIDH1PDGFRBPDGFRAPLK1
SCHEMBL18308323 0.92 IDH1 (0.34) METIDH1KITKDM4E
SCHEMBL18308539 0.91 MET (0.37) METIDH1PDGFRBPDGFRAKDM4E
SCHEMBL18308542 0.91 PLK1 (0.32) IDH1PLK1KDM4E
SCHEMBL18308332 0.90 KIT (0.35) METIDH1PLK1KIT
SCHEMBL18308344 0.87 KIT (0.36) METIDH1PDGFRBPDGFRAKIT
SCHEMBL18308394 0.86 APLNR (0.33) METIDH1KDM5AKDM5B
SCHEMBL18308334 0.86 MAPT (0.33) —

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-2016199943-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-15 — — WO disclosed
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