SCHEMBL18308538

SCHEMBL18308538

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)ncc1nnc(CC3CCCC3)n12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 2/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ PLK1 P53350 2/20 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
SCHEMBL18308334 0.82 MAPT (0.33) —
SCHEMBL18308543 0.80 BRD4 (0.30) —
SCHEMBL18308342 0.80 PDE2A (0.36) PLK1
SCHEMBL18308504 0.80 MET (0.36) PDGFRBPDGFRAPLK1
SCHEMBL18308416 0.80 GAA (0.33) —
SCHEMBL18308542 0.80 PLK1 (0.32) PLK1
SCHEMBL18308540 0.79 MRGPRX4 (0.32) —
SCHEMBL18308550 0.79 HPGDS (0.31) —
SCHEMBL18308505 0.79 MAPT (0.34) —
SCHEMBL18308325 0.78 KDM4E (0.35) —

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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