SCHEMBL8224701

SCHEMBL8224701

C=C1CC(c2ncc3c(C#I)nccn23)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 3/20 0.31
PDE1A P54750 2/20 0.30
PDE1B Q01064 2/20 0.30

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
SCHEMBL401226 0.78 PDE1C (0.33) PDE1CPDE1APDE1B
SCHEMBL21138800 0.61 ADORA3 (0.34)
SCHEMBL21057342 0.61 ADORA3 (0.51)
SCHEMBL18099738 0.60 PDE1C (0.46) PDE1CPDE1APDE1B
SCHEMBL21091174 0.58 PDE1C (0.33) PDE1CPDE1APDE1B
SCHEMBL13447987 0.58 TNK2 (0.35) PDE1CPDE1APDE1B
SCHEMBL2324080 0.57 PDE1B (0.53) PDE1CPDE1APDE1B
SCHEMBL21091193 0.55 PDE1C (0.35) PDE1CPDE1APDE1B
SCHEMBL17892667 0.55 PDE1C (0.33) PDE1CPDE1APDE1B
SCHEMBL19264032 0.54 PIK3CA (0.42) PDE1CPDE1APDE1B

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-2007106503-A2 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed