SCHEMBL18308537

SCHEMBL18308537

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)ncc1nnc(Cc3ccccc3)n12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MET P08581 4/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ PLK1 P53350 2/20 0.33
▸ IDH1 O75874 2/20 0.32
▸ FGFR1 P11362 2/20 0.31
▸ SRC P12931 2/20 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
SCHEMBL18308539 0.95 MET (0.37) MAPTKDM4EUSP2ALDH1A1LMNA
SCHEMBL18308541 0.94 MET (0.35) MAPTMETPDGFRBPDGFRAIDH1
SCHEMBL18308416 0.93 GAA (0.33) MAPTKDM4EUSP2ALDH1A1LMNA
SCHEMBL18308542 0.93 PLK1 (0.32) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL18308504 0.93 MET (0.36) KDM4EMETPDGFRBPDGFRAKIT
SCHEMBL18308344 0.92 KIT (0.36) MAPTKDM4ELMNAMETPDGFRB
SCHEMBL18308331 0.92 RECQL (0.35) MAPTALDH1A1LMNATSHRHSD17B10
SCHEMBL18308540 0.92 MRGPRX4 (0.32) MAPTUSP2TSHRHSD17B10MET
SCHEMBL18308323 0.92 IDH1 (0.34) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL18308511 0.90 MRGPRX4 (0.40) MAPTSMN1; SMN2NPSR1

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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