SCHEMBL14536725

SCHEMBL14536725

O[C@H]1C[C@@H](c2ncc3c(Cl)nccn32)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.35
PDE1C Q14123 3/20 0.33
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 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
SCHEMBL25380100 0.89 PDE1C (0.35) TNK2PDE1CPDE1APDE1B
SCHEMBL13447987 0.85 TNK2 (0.35) TNK2PDE1CPDE1APDE1B
SCHEMBL19264176 0.85 PDE1C (0.33) PDE1CPDE1APDE1B
SCHEMBL401192 0.84 TNK2 (0.38) TNK2PDE1CPDE1APDE1B
SCHEMBL16748877 0.84 PDE1C (0.44) TNK2PDE1CPDE1APDE1B
SCHEMBL17892665 0.83 PDE1C (0.33) TNK2PDE1CPDE1APDE1B
SCHEMBL17892667 0.83 PDE1C (0.33) TNK2PDE1CPDE1APDE1B
SCHEMBL400651 0.83 PDE1C (0.43) TNK2PDE1CPDE1APDE1B
SCHEMBL18099738 0.81 PDE1C (0.46) TNK2PDE1CPDE1APDE1B
SCHEMBL13962521 0.80 PDE1C (0.47) TNK2PDE1CPDE1APDE1B

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-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed