SCHEMBL18308539

SCHEMBL18308539

COc1cc2c(cc1/C(C(C)=N)=C(\C)O)ncc1nnc(Cc3ccc(-c4ccccc4)cc3)n12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.37
▸ MAPT P10636 1/20 0.34
▸ FYN P06241 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ IDH1 O75874 2/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ PIK3CB P42338 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ ATRIP Q8WXE1 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
SCHEMBL18308537 0.95 MAPT (0.36) METMAPTFYNKDM4EUSP2
SCHEMBL18308541 0.92 MET (0.35) METMAPTIDH1PDGFRBPDGFRA
SCHEMBL18308504 0.91 MET (0.36) METKDM4EIDH1PDGFRBPDGFRA
SCHEMBL18308416 0.91 GAA (0.33) METMAPTKDM4EUSP2ALDH1A1
SCHEMBL18308323 0.90 IDH1 (0.34) METMAPTFYNKDM4EALDH1A1
SCHEMBL18308542 0.89 PLK1 (0.32) MAPTKDM4EALDH1A1LMNAIDH1
SCHEMBL18308332 0.88 KIT (0.35) METALDH1A1TSHRSMN1; SMN2IDH1
SCHEMBL18308344 0.87 KIT (0.36) METMAPTKDM4ELMNAIDH1
SCHEMBL18308511 0.85 MRGPRX4 (0.40) MAPTSMN1; SMN2
SCHEMBL18308394 0.85 APLNR (0.33) METIDH1

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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