SCHEMBL18308540

SCHEMBL18308540

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)ncc1nnc(Cc3ccc(Cl)cc3)n12

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ IDH1 O75874 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MET P08581 1/20 0.30
▸ CDC25A P30304 2/20 0.30
▸ CDC25B P30305 2/20 0.30
▸ KDR P35968 1/20 0.30
▸ CSF1R P07333 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
SCHEMBL18308504 0.92 MET (0.36) IDH1MET
SCHEMBL18308416 0.92 GAA (0.33) IDH1MAPTUSP2TSHRHSD17B10
SCHEMBL18308542 0.90 PLK1 (0.32) IDH1MAPT
SCHEMBL18308541 0.90 MET (0.35) IDH1MAPTMET
SCHEMBL18308329 0.88 PLK1 (0.36) IDH1MAPTMET
SCHEMBL18308331 0.86 RECQL (0.35) MAPTMEN1CYP1A2KMT2ATSHR
SCHEMBL18308334 0.85 MAPT (0.33) MAPT
SCHEMBL18308342 0.85 PDE2A (0.36) MAPTMET
SCHEMBL18308511 0.84 MRGPRX4 (0.40) MRGPRX4MAPT
SCHEMBL18308508 0.84 KIT (0.38) METCSF1R

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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