SCHEMBL2598306

SCHEMBL2598306

CC(C)n1ncc2nccc(I)c21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 12/20 0.34
PDE1A P54750 11/20 0.34
PDE1C Q14123 10/20 0.34
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL2598332 0.77 TGFBR1 (0.37)
SCHEMBL2598448 0.72 TGFBR1 (0.40) PDE1BPDE1APDE1CCLK1DYRK1A
SCHEMBL2598467 0.70 ADORA3 (0.38) PDE1BPDE1APDE1C
SCHEMBL21877826 0.70 PDE1A (0.59) PDE1BPDE1APDE1C
SCHEMBL19269980 0.68 PIK3CD (0.37) PDE1BPDE1APDE1C
SCHEMBL30369543 0.68 PDE1B (0.52) PDE1BPDE1APDE1C
SCHEMBL17997562 0.68 PDE1B (0.52) PDE1BPDE1APDE1C
SCHEMBL2598826 0.68 JAK1 (0.30)
SCHEMBL2598377 0.67 MPO (0.35)
SCHEMBL12725287 0.67 DRD4 (0.33) PDE1BPDE1APDE1CDYRK1A

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-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO disclosed