SCHEMBL14199032

SCHEMBL14199032

Nc1cccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.64
PDE1A P54750 3/20 0.60
PDE4C Q08493 3/20 0.60
PDE4D Q08499 3/20 0.60
PDE3B Q13370 3/20 0.60
PDE1C Q14123 3/20 0.60
PDE3A Q14432 3/20 0.60
PDE11A Q9HCR9 3/20 0.60
PDE10A Q9Y233 3/20 0.60
PDE2A O00408 1/20 0.54
CHRM2 P08172 1/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54

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
SCHEMBL12049406 0.89 MET (0.65) METPDE1APDE4CPDE4DPDE3B
SCHEMBL9910377 0.89 MET (0.77) METPDE1APDE4CPDE4DPDE3B
SCHEMBL9910375 0.89 MET (0.77) METPDE1APDE4CPDE4DPDE3B
SCHEMBL14198922 0.89 MET (0.81) METPDE1APDE4CPDE4DPDE3B
SCHEMBL12101261 0.89 MET (0.81) METPDE1APDE4CPDE4DPDE3B
SCHEMBL14198921 0.89 MET (0.81) METPDE1APDE4CPDE4DPDE3B
SCHEMBL12049425 0.87 MET (0.61) METPDE1APDE4CPDE4DPDE3B
SCHEMBL12049418 0.86 MET (0.61) METPDE1APDE4CPDE4DPDE3B
SCHEMBL12048999 0.86 MET (0.80) METPDE1APDE4CPDE4DPDE3B
SCHEMBL12049408 0.86 MET (0.61) METPDE1APDE4CPDE4DPDE3B

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-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed