SCHEMBL18308550

SCHEMBL18308550

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)ncc1nnc(Cc3cnccn3)n12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 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
SCHEMBL18308334 0.87 MAPT (0.33) —
SCHEMBL18308542 0.86 PLK1 (0.32) —
SCHEMBL18308331 0.86 RECQL (0.35) —
SCHEMBL18308416 0.83 GAA (0.33) —
SCHEMBL18308504 0.83 MET (0.36) —
SCHEMBL18308342 0.83 PDE2A (0.36) —
SCHEMBL18308333 0.82 LCK (0.32) —
SCHEMBL18308505 0.81 MAPT (0.34) —
SCHEMBL18308325 0.81 KDM4E (0.35) —
SCHEMBL18308506 0.81 ALDH1A1 (0.37) —

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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