SCHEMBL359613

SCHEMBL359613

Cn1cc(-n2ccc(=O)c(OC(C)(C(=O)O)c3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.41
PDE3A Q14432 5/20 0.41
NQO2 P16083 2/20 0.41
PDE3B Q13370 2/20 0.41
PIP4K2C Q8TBX8 2/20 0.41
DYRK1A Q13627 2/20 0.37
WNT1 P04628 1/20 0.37
ABL1 P00519 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP3K19 Q56UN5 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL14916384 0.79 MET (0.47) METPDE3ANQO2PDE3BPIP4K2C
SCHEMBL358734 0.78 MET (0.46) METPDE10A
SCHEMBL359518 0.77 MET (0.52) METPDE3ANQO2PDE3BPIP4K2C
SCHEMBL14915679 0.77 MET (0.52) METPDE3ANQO2PDE3BPIP4K2C
SCHEMBL2263079 0.76 WNT1 (0.45) METPDE3ADYRK1AWNT1PDE10A
SCHEMBL162668 0.75 MET (0.43) METPDE3ANQO2PDE3BPIP4K2C
SCHEMBL2223043 0.74 MET (0.52) METPDE10A
SCHEMBL164181 0.73 MET (0.53) MET
SCHEMBL2269727 0.73 MET (0.52) METPDE3ANQO2PDE3BPIP4K2C
SCHEMBL367896 0.73 MET (0.44) METPDE3ANQO2PDE3BPIP4K2C

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 4 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 claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed
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