SCHEMBL367917

SCHEMBL367917

Cn1cc(-n2ccc(=O)c(COc3ccc4nc[c]cc4c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
MET P08581 8/20 0.31
KCNH2 Q12809 2/20 0.30
MCHR1 Q99705 2/20 0.30
CYP3A4 P08684 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL255618 0.85 PDE10A (0.38) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL360598 0.85 PDE10A (0.38) PDE10AFGFR1FGFR3MET
SCHEMBL359481 0.85 EGFR (0.41) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL359817 0.85 MET (0.40) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL178094 0.85 MET (0.44) FGFR1FGFR3MET
SCHEMBL162668 0.85 MET (0.43) PDE10AMET
SCHEMBL173298 0.84 BRD4 (0.38) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL367903 0.84 MET (0.40) PDE10AFGFR1FGFR2FGFR3MET
SCHEMBL360828 0.84 MET (0.39) PDE10AMETMCHR1
Hydrochloric Acid SCHEMBL174468 0.84 PDE10A (0.37) PDE10AFGFR1FGFR2FGFR3MET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed