SCHEMBL8205255

SCHEMBL8205255

O=C(O)c1nc2ccnn2c(Cl)c1CCCl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
PDE4B Q07343 14/20 0.36
PDE4D Q08499 14/20 0.36
PDE4A P27815 13/20 0.36
PDE4C Q08493 12/20 0.36
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KCNN3 Q9UGI6 2/20 0.34
KCNN1 Q92952 1/20 0.34
KCNN2 Q9H2S1 1/20 0.34

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
SCHEMBL8192375 0.85 PDE4A (0.39) PDE10APDE4BPDE4DPDE4APDE4C
SCHEMBL8175915 0.83 PDE4A (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL8187093 0.82 PDE4A (0.37) PDE10APDE4BPDE4DPDE4APDE4C
SCHEMBL8177267 0.82 PDE4A (0.37) PDE10APDE4BPDE4DPDE4APDE4C
SCHEMBL8187111 0.81 PDE4A (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL8191475 0.79 PDE10A (0.42) PDE10AKCNN3KCNN1KCNN2
SCHEMBL12126898 0.79 PDE10A (0.42) PDE10APDE4BPDE4DPDE4APDE4C
SCHEMBL8185998 0.78 PDE10A (0.41) PDE10AKCNN3KCNN1KCNN2
SCHEMBL8185583 0.72 PDE10A (0.36) PDE10AKCNN3KCNN1KCNN2
SCHEMBL22978862 0.71 PDE10A (0.40) PDE10AKCNN3KCNN1KCNN2

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-1021447-A1 PYRROLOPYRAZOLOPYRIMIDINE COMPOUND AND MEDICINE COMPRISING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-26 EP disclosed
WO-1998033799-A1 PYRROLOPYRAZOLOPYRIMIDINE COMPOUND AND MEDICINE COMPRISING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 1998-08-06 WO disclosed