SCHEMBL18197857

SCHEMBL18197857

Cn1cc(-c2ccc3nnc(C(F)F)n3n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.55
PDE3B Q13370 3/20 0.55
PDE3A Q14432 3/20 0.55
PDE2A O00408 1/20 0.55
CHRM2 P08172 1/20 0.55
PDE4A P27815 1/20 0.55
PDE1A P54750 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
PDE1C Q14123 1/20 0.55
PDE11A Q9HCR9 1/20 0.55
PDE10A Q9Y233 1/20 0.55
FYN P06241 6/20 0.50
NQO2 P16083 2/20 0.47
PIP4K2C Q8TBX8 2/20 0.47
ABL1 P00519 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL2423083 0.85 MET (0.57) METPDE3BPDE3APDE2ACHRM2
SCHEMBL2765074 0.79 KDM4E (0.59) METPDE3BPDE3APDE2ACHRM2
SCHEMBL509620 0.79 FYN (0.53) METPDE3BPDE3APDE2ACHRM2
SCHEMBL18197886 0.78 MET (0.59) METPDE3BPDE3APDE2ACHRM2
SCHEMBL13209254 0.77 MET (0.61) METPDE3BPDE3APDE2ACHRM2
SCHEMBL16136542 0.77 MET (0.58) METPDE3BPDE3APDE2ACHRM2
SCHEMBL9910509 0.72 MET (1.00) METPDE3BPDE3APDE2ACHRM2
SCHEMBL2697990 0.72 MET (1.00) METPDE3BPDE3APDE2ACHRM2
SCHEMBL9910130 0.72 MET (1.00) METPDE3BPDE3APDE2ACHRM2
SCHEMBL12049101 0.72 MET (0.68) METPDE3BPDE3APDE2ACHRM2

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
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed